SCHEMBL5709683

SCHEMBL5709683

CC(C)(C)[C](c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CES1 P23141 4/20 0.41
CES2 O00748 3/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
ELANE P08246 2/20 0.41
GAA P10253 1/20 0.40
ESRRG P62508 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
F12 P00748 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6980719 0.86 NPC1 (0.43) POLBTDP1CES1CES2LMNA
SCHEMBL8212756 0.81 CES2 (0.48) ALDH1A1HSD17B10TDP1CES1CES2
SCHEMBL4653279 0.80 POLB (0.41) POLBALDH1A1TSHRHSD17B10TDP1
SCHEMBL6283617 0.77 ALDH1A1 (0.41) POLBALDH1A1TSHRHSD17B10TDP1
SCHEMBL3011527 0.77 ALDH1A1 (0.41) POLBALDH1A1TSHRHSD17B10TDP1
SCHEMBL8576250 0.77 ATM (0.42) POLBALDH1A1TSHRHSD17B10TDP1
SCHEMBL8576252 0.77 ATM (0.42) POLBALDH1A1TSHRHSD17B10TDP1
SCHEMBL7530850 0.75 NR4A1 (0.50) POLBALDH1A1TSHRHSD17B10TDP1
SCHEMBL7698518 0.74 CES1 (0.44) POLBALDH1A1TSHRHSD17B10TDP1
SCHEMBL9493195 0.74 RIPK1 (0.44) POLBALDH1A1TSHRHSD17B10TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 202 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103224474-A Synthesis of tetracyclines and analogues thereof HARVARD COLLEGE 2013-07-31 CN claimed
CN-101861308-B Process for the preparation of benzofuran compounds CAMBREX KARLSKOGA AB 2013-06-19 CN claimed
CN-101027279-B Synthesis of tetracyclines and analogues thereof HARVARD COLLEGE 2013-03-27 CN claimed
CN-101855214-B Benzimidazole derivatives and their use as FXR agonists HOFFMANN LA ROCHE 2012-12-26 CN claimed
CN-102091072-A Nucleoside derivatives and therapeutic use thereof REXAHN CORP 2011-06-15 CN claimed
CN-1980898-B Nucleoside derivatives and their therapeutic use REXAHN CORP 2011-01-12 CN claimed
CN-1989253-A Method for producing enantiomeric forms of 3-hydroxycyclohexanecarboxylic acid derivatives in cis-configuration using a hydrolase SANOFI AVENTIS DEUTSCHLAND (DE) 2007-06-27 CN claimed
CN-1980898-A Nucleoside derivatives and their therapeutic use REXAHN CORP (US) 2007-06-13 CN claimed
CN-106536045-B Catalyst and process for preparing same IP2IPO 创新有限公司 2020-02-07 CN disclosed
CN-106164076-B Compound as ROS1 inhibitor 詹森药业有限公司 2019-03-26 CN disclosed
CN-106164076-A As be replaced the 4 of ROS1 inhibitor, 5,6,7 tetrahydro-pyrazoles also [1,5 a] pyrazines derivatives and 5,6,7,8 tetrahydrochysene 4H pyrazolo [1,5 a] [Isosorbide-5-Nitrae] diazacyclo heptantriene derivants 詹森药业有限公司 2016-11-23 CN disclosed
EP-1719615-B1 PLATED RESIN FORMED ARTICLE DAICEL POLYMER LTD (JP) 2016-08-17 EP disclosed
CN-103342633-B For the preparation of the method for benzofuran compounds CAMBREX KARLSKOGA AB (SE) 2016-05-04 CN disclosed
CN-102164899-B Substituted indazoles or tetrahydroindazoles as FXR modulators against dyslipidemia and related diseases HOFFMANN LA ROCHE 2014-11-26 CN disclosed
CN-86102923-A The method for preparing antibiotic derivatives 1986-11-12 CN disclosed
CN-85109492-A Tricyclic compounds, process for their production and pharmaceutical compositions containing them 1986-06-10 CN disclosed
EP-0053815-A1 2-Oxoazetidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-06-16 EP disclosed
US-4305839-A PHOSPHITES AND PHOSPHONITES FOR COLOR STABILITY CARSTAB CORPORATION (US) 1981-12-15 US disclosed
US-4297352-A CEPHALOSPORINS; BACTERICIDES; ANTIBIOTICS ROUSSEL UCLAF (FR) 1981-10-27 US disclosed
US-4260747-A CEPHALOSPORINS, ANTIBIOTICS ROUSSEL UCLAF (FR) 1981-04-07 US disclosed