SCHEMBL8591229

SCHEMBL8591229

CC(C(=O)O)c1cccc(CC2CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 2/20 0.49
▸ LTB4R2 Q9NPC1 2/20 0.49
▸ PTGS1 P23219 10/20 0.49
▸ PTGS2 P35354 9/20 0.49
▸ MAPT P10636 2/20 0.49
▸ CXCR1 P25024 2/20 0.49
▸ CXCR2 P25025 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ RECQL P46063 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ SLC22A6 Q4U2R8 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CXCL8 P10145 1/20 0.49
▸ THPO P40225 1/20 0.49

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
SCHEMBL1345174 0.93 LTB4R (0.46) LTB4RLTB4R2PTGS1PTGS2MAPT
SCHEMBL8590234 0.84 PTGS1 (0.51) LTB4RLTB4R2PTGS1PTGS2MT-CO2
SCHEMBL14121701 0.80 HRH3 (0.42) LTB4RLTB4R2MAPTSMN1; SMN2KDM4E
SCHEMBL28780509 0.80 LTB4R (0.43) LTB4RLTB4R2PTGS1PTGS2MAPT
SCHEMBL3674499 0.79 PTGS2 (0.69) LTB4RLTB4R2PTGS1PTGS2MAPT
SCHEMBL9425565 0.79 PTGS2 (0.56) LTB4RLTB4R2PTGS1PTGS2MAPT
SCHEMBL10276277 0.78 PTGS2 (0.54) LTB4RLTB4R2PTGS1PTGS2MAPT
SCHEMBL66534 0.78 PTGS2 (0.64) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL2319534 0.78 PTGS2 (0.58) LTB4RLTB4R2PTGS1PTGS2MAPT
SCHEMBL1345158 0.78 PTGS2 (0.64) PTGS1PTGS2MAPTCXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998057910-A2 CYCLOOXYGENASE-I SELECTIVE INHIBITORS AND THE USE THEREOF AS ANALGESIC, ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS LABORATORIOS MENARINI S.A. (ES) 1998-12-23 — — WO claimed
Send feedback