SCHEMBL7770324

SCHEMBL7770324

O=C(O)c1ccc(C=Cc2cc(Cl)ccc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.55
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
MAP4K4 O95819 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
CDH1 P12830 1/20 0.43
APC P25054 1/20 0.43
CTNNB1 P35222 1/20 0.43
TCF7L2 Q9NQB0 1/20 0.43
SRD5A1 P18405 2/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
CRHBP P24387 1/20 0.42
RAB9A P51151 1/20 0.42
CRHR2 Q13324 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42

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
SCHEMBL7770322 1.00 SRD5A2 (0.55) SRD5A2ALOX15TSHRMAP4K4RXRA
SCHEMBL7775021 0.89 SRD5A2 (0.50) SRD5A2ALOX15TSHRRXRARXRB
SCHEMBL7775017 0.89 SRD5A2 (0.50) SRD5A2ALOX15TSHRRXRARXRB
SCHEMBL7770389 0.86 ALOX15 (0.49) SRD5A2ALOX15TSHRMAP4K4RXRA
SCHEMBL7770394 0.86 ALOX15 (0.49) SRD5A2ALOX15TSHRMAP4K4RXRA
SCHEMBL7774951 0.84 PTPN1 (0.50) NPC1RAB9AMEN1KMT2AKCNA3
SCHEMBL7774955 0.84 PTPN1 (0.50) NPC1RAB9AMEN1KMT2AKCNA3
SCHEMBL5754075 0.81 TSHR (0.74) SRD5A2ALOX15TSHRMEN1DUSP3
SCHEMBL5754068 0.81 TSHR (0.74) SRD5A2ALOX15TSHRMEN1DUSP3
SCHEMBL7776786 0.76 RXRA (0.51) SRD5A2ALOX15TSHRRXRARXRB

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-0809622-B1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS INC (US) 2001-08-29 EP disclosed
US-5530157-A NON-STEROID ANTIINFLAMMATORY DRUG SCIOS NOVA INC. (US) 1996-06-25 US disclosed