SCHEMBL4948339

SCHEMBL4948339

c1ccc(CCCCc2cccc3ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.59
SIGMAR1 Q99720 2/20 0.56
CYP1A2 P05177 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2D6 P10635 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
MCL1 Q07820 3/20 0.47
BID P55957 1/20 0.47
BCL2L1 Q07817 1/20 0.47
BAK1 Q16611 1/20 0.47
MAOA P21397 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOB P27338 1/20 0.45

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
SCHEMBL9301480 0.98 GPR84 (0.58) GPR84SIGMAR1CYP1A2CYP2C19CYP2C9
SCHEMBL8935957 0.98 GPR84 (0.58) GPR84SIGMAR1CYP1A2CYP2C19CYP2C9
SCHEMBL652141 0.96 GPR84 (0.64) GPR84SIGMAR1CYP1A2CYP2C19CYP2C9
SCHEMBL9800436 0.89 CYP1A2 (0.58) GPR84SIGMAR1CYP1A2CYP2C19CYP2C9
SCHEMBL1826164 0.88 CYP1A2 (0.52) GPR84SIGMAR1CYP1A2CYP2C19CYP2C9
SCHEMBL5830948 0.85 GPR84 (0.59) GPR84SIGMAR1CYP1A2CYP2C19CYP2C9
SCHEMBL10446312 0.84 SIGMAR1 (0.47) GPR84SIGMAR1CYP1A2CYP2C19CYP2C9
SCHEMBL9049841 0.83 SIGMAR1 (0.62) SIGMAR1HPGDKMT2A
SCHEMBL21254259 0.82 GPR84 (0.54) GPR84SIGMAR1CYP1A2CYP2C19CYP2C9
SCHEMBL2303485 0.82 GPR84 (0.54) GPR84SIGMAR1CYP1A2CYP2C19CYP2C9

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
EP-1358069-B1 IMPROVED INK JET PRINTING PAPER AND METHODS FOR PRODUCING AND USING THE SAME ONDEO NALCO CO (US) 2008-09-10 EP disclosed
EP-1611130-A2 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO Choongwae Pharma Corporation (KR) 2006-01-04 EP disclosed
US-6884557-B2 Desensitizing treatment liquid for lithographic printing FUJI PHOTO FILM CO., LTD. (JP) 2005-04-26 US disclosed
WO-2004093828-A2 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2004-11-04 WO disclosed
US-6699995-B1 ALKYLATION AT 5-POSITION OF OXAZOLE BY REACTION WITH UNSATURATED COMPOUND IN PRESENCE OF ACID OR BASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
US-20030194623-A1 Desensitizing treatment liquid for lithographic printing FUJIFILM CORPORATION (JP) 2003-10-16 US disclosed
EP-0753003-A1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-01-15 EP disclosed
WO-1995028416-A1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-26 WO disclosed
EP-0605681-A1 SULPHAMIDE DERIVATIVES AS METALLOPROTEINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1994-07-13 EP disclosed
WO-1993024475-A1 SULPHAMIDE DERIVATIVES AS METALLOPROTEINASE INHIBITORS CELLTECH LIMITED (GB) 1993-12-09 WO disclosed
WO-1989011278-A1 CYCLOPHOSPHAMIDE ANALOGS USEFUL AS ANTI-TUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1989-11-30 WO disclosed
US-4458047-A HEATING WITH ACID CATALYST SUN TECH, INC. (US) 1984-07-03 US disclosed