SCHEMBL11364191

SCHEMBL11364191

CC(SN(C(=O)O)c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 5/20 0.38
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
CYP2D6 P10635 1/20 0.36
SRC P12931 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MTOR P42345 1/20 0.36
MAPK1 P28482 1/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 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
SCHEMBL10351899 0.83 ALDH1A1 (0.41) ALOX5KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL27833841 0.75 KMT2A (0.38) ALOX5KMT2AALDH1A1LMNACYP2D6
SCHEMBL2935480 0.72 NPSR1 (0.50) KMT2AALDH1A1SMN1; SMN2TP53NPSR1
SCHEMBL28427246 0.72 NPSR1 (0.48) KMT2AALDH1A1SMN1; SMN2NPSR1GLA
SCHEMBL11299784 0.72 ALDH1A1 (0.41) ALOX5KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL11272720 0.68 POLB (0.45) KMT2AALDH1A1LMNASMN1; SMN2TP53
SCHEMBL4654046 0.67 NPSR1 (0.43) KMT2AALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL1959777 0.67 TSHR (0.46) ALOX5KMT2ALMNACYP2D6SRC
SCHEMBL30295822 0.67 CYP3A4 (0.43) ALOX5KMT2AALDH1A1LMNACYP2D6
SCHEMBL6953010 0.66 CYP2D6 (0.46) ALOX5ALDH1A1LMNASMN1; SMN2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0008177-B1 VULCANIZABLE RUBBER COMPOSITIONS CONTAINING SUBSTITUTED CARBAMIC ACID ESTERS MONSANTO COMPANY (US) 1981-08-26 EP disclosed
EP-0008177-A1 Vulcanizable rubber compositions containing substituted carbamic acid esters MONSANTO COMPANY (US) 1980-02-20 EP disclosed
US-4156680-A Scorch inhibited vulcanizable rubber compositions containing carbamic acid esters MONSANTO COMPANY (US) 1979-05-29 US disclosed