SCHEMBL11650294

SCHEMBL11650294

S=P(c1ccccc1)(c1ccccc1)c1ccc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.46
▸ ESR2 Q92731 2/20 0.46
▸ NPSR1 Q6W5P4 8/20 0.41
▸ HTT P42858 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ CA2 P00918 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ FKBP5 Q13451 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3060846 0.85 HDAC8 (0.37) ESR1ESR2KDM4EGAAMAPT
SCHEMBL7406545 0.76 LMNA (0.41) ESR1NPSR1HTTGAAMAPT
SCHEMBL517954 0.71 ESR1 (0.68) ESR1ESR2NPSR1HTTGAA
SCHEMBL9772833 0.68 ESR1 (0.65) ESR1ESR2NPSR1HTTGAA
Phosphine SCHEMBL15190577 0.68 ESR1 (0.65) ESR1ESR2NPSR1HTTGAA
SCHEMBL31176947 0.68 ESR1 (0.65) ESR1ESR2NPSR1HTTGAA
SCHEMBL4780784 0.67 ESR1 (0.64) ESR1ESR2NPSR1HTTCA2
SCHEMBL3069505 0.65 FKBP5 (0.42) KDM4EGAAMAPTHDAC8HDAC6
SCHEMBL14012707 0.64 ESR1 (0.58) ESR1ESR2NPSR1HTTGAA
SCHEMBL18577902 0.64 ESR1 (0.58) ESR1ESR2NPSR1HTTGAA

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
US-4115129-A FOR SILVER HALIDE EMULSIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-09-19 — — US claimed
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