SCHEMBL9368992

SCHEMBL9368992

CC(C)Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.60
MAPK1 P28482 1/20 0.54
PARP15 Q460N3 1/20 0.53
PARP10 Q53GL7 1/20 0.53
KMT2A Q03164 1/20 0.53
RXRA P19793 2/20 0.53
RXRB P28702 2/20 0.53
PTGS1 P23219 3/20 0.50
PTGS2 P35354 3/20 0.50
LMNA P02545 2/20 0.50
CYP2C9 P11712 2/20 0.50
AKR1C3 P42330 2/20 0.50
CXCR1 P25024 2/20 0.50
CXCR2 P25025 2/20 0.50
RARB P10826 2/20 0.50
ALB P02768 1/20 0.50
ESR1 P03372 1/20 0.50
ALOX5 P09917 1/20 0.50
ADRB3 P13945 1/20 0.50
NFKB1 P19838 1/20 0.50

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
SCHEMBL452233 0.89 PTGS1 (0.60) MAPK1KMT2APTGS1PTGS2LMNA
SCHEMBL27959311 0.89 PTGS1 (0.60) MAPK1KMT2APTGS1PTGS2LMNA
SCHEMBL9374371 0.86 HPGD (0.66) KMT2APTGS1PTGS2LMNACYP2C9
SCHEMBL9348933 0.85 RXRA (0.73) SRD5A2MAPK1PARP10RXRARXRB
SCHEMBL1447047 0.85 PTGS2 (0.45) SRD5A2PTGS1PTGS2LMNACYP2C9
SCHEMBL9005585 0.85 AKR1C3 (0.64) SRD5A2KMT2ALMNACYP2C9AKR1C3
SCHEMBL9369118 0.84 ADRB3 (0.56) KMT2ARXRARXRBPTGS1PTGS2
SCHEMBL4575613 0.83 SLC6A4 (0.48) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL9597497 0.83 FFAR1 (0.56) SRD5A2MAPK1KMT2ARXRARXRB
SCHEMBL9336515 0.83 FFAR1 (0.56) SRD5A2MAPK1KMT2ARXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0600084-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed
WO-1993003012-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-18 WO disclosed