SCHEMBL3882935

SCHEMBL3882935

CC(Cc1cc(N)c(OCc2ccc(C(F)(F)F)cc2)c(-c2ccc3ccccc3c2)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
CXCR2 P25025 1/20 0.42
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
FFAR1 O14842 2/20 0.39
PTGER1 P34995 1/20 0.39

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
SCHEMBL3880893 0.89 FFAR1 (0.44) AKR1C3AKR1C2ADAMTS4MMP13FFAR1
SCHEMBL3954848 0.87 AKR1C3 (0.47) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL3885770 0.86 PTGES (0.43) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL3881440 0.86 PTGS2 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3881786 0.85 FFAR1 (0.52) RXRARXRBRXRGFFAR1PPARD
SCHEMBL3881631 0.83 CCNC (0.45) PSEN1CXCR2RXRARXRBRXRG
SCHEMBL3886441 0.81 AKR1C3 (0.40) AKR1C3AKR1C2ADAMTS4MMP13FFAR1
SCHEMBL3885070 0.81 AKR1C3 (0.40) AKR1C3AKR1C2FFAR1PTGER1PTGER4
SCHEMBL3883495 0.81 PLA2G10 (0.40) AKR1C3AKR1C2FFAR1PTGER1PTGER4
SCHEMBL3882342 0.80 PPARG (0.39) AKR1C3AKR1C2FFAR1S1PR5PPARD

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
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed