SCHEMBL8429903

SCHEMBL8429903

Oc1ccc(F)cc1CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.46
IGF1R P08069 1/20 0.46
MPO P05164 3/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
AKR1B1 P15121 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
ALOX5 P09917 1/20 0.42

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
SCHEMBL8431907 0.89 PTGS1 (0.52) ALOX15MPOCYP3A4HPGDHIF1A
SCHEMBL9156902 0.84 BCL2 (0.58) ALOX15IGF1RMPOKDM4EBCL2
SCHEMBL9047865 0.83 MEN1 (0.62) ALOX15MPOMEN1CYP3A4HPGD
SCHEMBL9487127 0.82 ALOX15 (0.60) ALOX15IGF1RKDM4EMEN1CYP3A4
SCHEMBL1426624 0.81 EGFR (0.60) ALOX15IGF1RCYP3A4HPGDHIF1A
SCHEMBL16191048 0.81 HTR2A (0.51) HTR2AHTR2CMEN1KMT2APOLB
SCHEMBL9243499 0.81 BACE1 (0.50) ALOX15IGF1RMPOKDM4EMEN1
SCHEMBL7008741 0.80 HTR2A (0.48) HTR2AHTR2CKDM4EMEN1HPGD
SCHEMBL9807315 0.79 BCL2 (0.48) ALOX15IGF1RKDM4EMEN1CYP3A4
SCHEMBL8430000 0.79 AKR1B1 (0.51) ALOX15KDM4EHIF1AHSD17B10AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO disclosed
EP-0958817-A1 COMPOSITION CONTAINING DIARYLALKANE DERIVATIVE AS THE ACTIVE INGREDIENT FOR TREATING OR PREVENTING PANCREATITIS SANKYO COMPANY LIMITED (JP) 1999-11-24 EP disclosed
US-5843983-A Diphenylethane compounds containing a saturated heterocyclic group, their preparation, and their therapeutic use SANKYO COMPANY, LIMITED (JP) 1998-12-01 US disclosed
EP-0790235-A1 Diaryl alkane derivatives containing an alicyclic group, their preparation and their therapeutic and prophylactic uses SANKYO COMPANY LIMITED (JP) 1997-08-20 EP disclosed