SCHEMBL3886879

SCHEMBL3886879

CC(Cc1ccc(OCC2CCCCC2)c(-c2cccc3[nH]ccc23)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.42
HPGDS O60760 1/20 0.39
PTGER1 P34995 4/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
KDM4E B2RXH2 1/20 0.38
APAF1 O14727 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRB3 P13945 1/20 0.37
SRC P12931 3/20 0.37
YES1 P07947 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
HTR1A P08908 1/20 0.37

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
SCHEMBL3883120 0.99 BRD4 (0.42) BRD4HPGDSPTGER1PTGER4PTGER3
SCHEMBL3896075 0.88 KDM4E (0.39) BRD4HPGDSKDM4EAPAF1POLB
SCHEMBL3883911 0.87 KDM4E (0.40) BRD4KDM4EAPAF1POLBMAPT
SCHEMBL3881280 0.84 THRA (0.45) BRD4HPGDSPTGER1ADRB3HTR1A
SCHEMBL3884976 0.84 PPARG (0.40) BRD4PTGER1PTGER4PTGER3PTGER2
SCHEMBL3686227 0.83 THRA (0.43) BRD4HPGDSPTGER1
SCHEMBL3886710 0.82 BRD4 (0.42) BRD4HPGDSPTGER1ADRB3ADRB2
SCHEMBL3884668 0.82 PTGS2 (0.42) PTGER1PTGER4PTGER3PTGER2SRC
SCHEMBL3685940 0.81 BRD4 (0.42) BRD4HPGDSPTGER1HTR1A
SCHEMBL3888826 0.80 PTGER1 (0.39) BRD4PTGER1PTGER4PTGER3PTGER2

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