SCHEMBL10909428

SCHEMBL10909428

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.38
HTR2A P28223 3/20 0.37
CHAT P28329 2/20 0.33
TRPA1 O75762 1/20 0.32
CACNA1F O60840 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA2B P18089 1/20 0.32
CHRM3 P20309 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
OPRK1 P41145 1/20 0.32
CACNA1D Q01668 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
SCN5A Q14524 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL10521942 0.80 HTR2A (0.43) RIPK1HTR2ANPC1MTORTP53
SCHEMBL10521936 0.80 HTR2A (0.43) RIPK1HTR2ANPC1MTORTP53
SCHEMBL314557 0.76 HTR2A (0.41) HTR2ATRPA1ALDH1A1TSHRTP53
SCHEMBL6028210 0.74 HTR2A (0.39) HTR2AALDH1A1TSHRNPC1MTOR
SCHEMBL7740381 0.74 TRPA1 (0.42) HTR2ATRPA1ALDH1A1TSHRAHR
SCHEMBL555263 0.71 HTR2A (0.48) HTR2AHRH1SLC6A3ALDH1A1TSHR
SCHEMBL9537967 0.71 MEN1 (0.42) HTR2ATRPA1NPC1MTORTP53
SCHEMBL11349841 0.69 ALDH1A1 (0.46) OPRK1ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL315078 0.69 HTR2A (0.41) HTR2ACHATALDH1A1TSHRAHR
SCHEMBL27460410 0.68 LMNA (0.41) HTR2AALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4599335-A FUNGICIDES, BACTERICIDES BASF AKTIENGESELLSCHAFT (DE) 1986-07-08 US claimed
CN-105492971-B The method of the orientation of block copolymer mesoscopic structure is controlled by random copolymer 阿科玛法国公司 2019-09-10 CN disclosed
CN-105579498-B Method for controlling the period characterizing the morphology obtained from a blend of block copolymers and of (co) polymers of one of the blocks 阿科玛法国公司 2019-06-04 CN disclosed
US-10301433-B2 Curable organopolysiloxane compositions WACKER CHEMIE AG (DE) 2019-05-28 US disclosed
CN-105980495-B The method for controlling substrate surface energy 阿科玛法国公司 2018-12-25 CN disclosed
EP-3172178-B1 CURABLE ORGANOPOLYSILOXANE COMPOSITIONS WACKER CHEMIE AG (DE) 2018-09-12 EP disclosed
US-20170210856-A1 CURABLE ORGANOPOLYSILOXANE COMPOSITIONS WACKER CHEMIE AG (DE) 2017-07-27 US disclosed
EP-3038993-B1 CURABLE ORGANOPOLYSILOXANE COMPOSITIONS WACKER CHEMIE AG (DE) 2017-05-31 EP disclosed
EP-3172178-A1 CURABLE ORGANOPOLYSILOXANE COMPOSITIONS Wacker Chemie AG (DE) 2017-05-31 EP disclosed
US-9617186-B2 Curable organopolysiloxane compositions WACKER CHEMIE AG (DE) 2017-04-11 US disclosed
US-20160207832-A1 CURABLE ORGANOPOLYSILOXANE COMPOSITIONS WACKER CHEMIE AG (DE) 2016-07-21 US disclosed
WO-2016012305-A1 CURABLE ORGANOPOLYSILOXANE COMPOSITIONS WACKER CHEMIE AG (DE) 2016-01-28 WO disclosed