SCHEMBL9362146

SCHEMBL9362146

C=C(CCl)Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.53
SRD5A2 P31213 3/20 0.50
EPHX2 P34913 5/20 0.48
RNF4 P78317 1/20 0.46
FFAR1 O14842 1/20 0.46
NR3C1 P04150 1/20 0.44
NR1H2 P55055 1/20 0.44
BAX Q07812 1/20 0.44
TSHR P16473 1/20 0.43
FAAH O00519 1/20 0.41

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
SCHEMBL9364120 0.82 CES1 (0.46) EPHX2TSHR
SCHEMBL9362574 0.79 LMNA (0.53) FFAR1TSHR
SCHEMBL1594428 0.79 SRD5A2 (0.58) LTA4HSRD5A2EPHX2RNF4FFAR1
SCHEMBL8694782 0.75 SRD5A2 (0.58) LTA4HSRD5A2EPHX2FFAR1NR3C1
SCHEMBL510124 0.74 LTA4H (0.61) LTA4HSRD5A2RNF4FFAR1NR1H2
SCHEMBL5563462 0.74 SRD5A2 (0.62) LTA4HSRD5A2EPHX2RNF4FFAR1
SCHEMBL28267455 0.74 LTA4H (0.52) LTA4HSRD5A2EPHX2FFAR1NR3C1
SCHEMBL9252738 0.73 LTA4H (0.61) LTA4HSRD5A2EPHX2FFAR1NR3C1
SCHEMBL9711192 0.73 LTA4H (0.61) LTA4HSRD5A2EPHX2FFAR1NR3C1
SCHEMBL1145770 0.73 SRD5A2 (0.83) LTA4HSRD5A2FFAR1NR3C1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0462148-B1 SUBSTITUTED 2-PROPENYL DERIVATIVES OF NITROGEN HETEROCYCLES UNIROYAL CHEM CO INC (US) 1994-06-01 EP disclosed
EP-0462148-A1 SUBSTITUTED 2-PROPENYL DERIVATIVES OF NITROGEN HETEROCYCLES. UNIROYAL CHEM CO INC (US) 1991-12-27 EP disclosed
WO-1990010627-A1 SUBSTITUTED 2-PROPENYL DERIVATIVES OF NITROGEN HETEROCYCLES UNIROYAL CHEMICAL COMPANY, INC. (US) 1990-09-20 WO disclosed
US-4950671-A FUNGICIDES UNIROYAL CHEMICAL COMPANY, INC. (US) 1990-08-21 US disclosed