SCHEMBL9484666

SCHEMBL9484666

O=P(O)(O)C(=Cc1ccc(O)c2ccccc12)P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
CTSL P07711 5/20 0.43
CAPN1 P07384 4/20 0.43
CTSB P07858 4/20 0.43
GCGR P47871 9/20 0.42
HDAC3 O15379 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LDHA P00338 1/20 0.38

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
SCHEMBL9358736 0.77 HMGCR (0.44) IDO1CTSLCAPN1CTSBGCGR
SCHEMBL7138482 0.77 NR1I2 (0.57) IDO1CTSLCAPN1CTSBGCGR
SCHEMBL9362475 0.75 NR1I2 (0.45) IDO1CTSLCAPN1CTSBGCGR
SCHEMBL7794762 0.73 IDO1 (0.54) IDO1CTSLCAPN1CTSBGCGR
SCHEMBL9357630 0.73 NR1I2 (0.43) IDO1CTSLCAPN1CTSBGCGR
SCHEMBL146732 0.72 IDO1 (0.59) IDO1CTSLCAPN1CTSBGCGR
SCHEMBL29673385 0.72 IDO1 (0.59) IDO1CTSLCAPN1CTSBGCGR
SCHEMBL7708552 0.72 IDO1 (0.65) IDO1CTSLCAPN1CTSBGCGR
SCHEMBL9358182 0.70 MEN1 (0.40) MEN1KMT2A
SCHEMBL8832497 0.70 ERN1 (0.39) CTSLCAPN1CTSBGCGRMEN1

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-5204336-A Anticholestrol agents SYMPHAR S.A. (CH) 1993-04-20 US disclosed