SCHEMBL3882989

SCHEMBL3882989

CC(Cc1cc(-c2ccc3ccccc3c2)c(OCC(C)C(C)C)c([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
S1PR4 O95977 2/20 0.36
S1PR5 Q9H228 2/20 0.36
MYC P01106 1/20 0.36
ADAMTS4 O75173 1/20 0.35
MMP13 P45452 1/20 0.35
PLA2G10 O15496 3/20 0.35
PLA2G2A P14555 3/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
PLA2G1B P04054 1/20 0.35
PLA2G5 P39877 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
PLA2G12B Q9BX93 1/20 0.35
PLA2G12A Q9BZM1 1/20 0.35
PLA2G2F Q9BZM2 1/20 0.35
PLA2G3 Q9NZ20 1/20 0.35

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
SCHEMBL3885031 0.93 MYC (0.42) AKR1C3AKR1C2S1PR4S1PR5MYC
SCHEMBL3885654 0.88 FFAR4 (0.41) AKR1C3AKR1C2MYCHDAC1FFAR4
SCHEMBL3883891 0.87 XDH (0.39) AKR1C3AKR1C2S1PR4S1PR5MYC
SCHEMBL3885151 0.86 PPARG (0.38) AKR1C3AKR1C2S1PR4S1PR5PLA2G10
SCHEMBL3891606 0.85 PTGER1 (0.39) AKR1C3AKR1C2MYCADAMTS4MMP13
SCHEMBL3886441 0.85 AKR1C3 (0.40) AKR1C3AKR1C2S1PR4S1PR5ADAMTS4
SCHEMBL3880497 0.84 CCNC (0.45) MYCHDAC1CASR
SCHEMBL3882257 0.84 AKR1C3 (0.41) AKR1C3AKR1C2S1PR4S1PR5PLA2G10
SCHEMBL3883685 0.84 AKR1C3 (0.36) AKR1C3AKR1C2S1PR4S1PR5PTGER1
SCHEMBL3884001 0.84 PPARG (0.37) AKR1C3AKR1C2S1PR4S1PR5PLA2G10

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