SCHEMBL9052908

SCHEMBL9052908

O=P(Cc1ccccc1)(OCCl)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
CETP P11597 3/20 0.41
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SRC P12931 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ELANE P08246 1/20 0.37
PDPK1 O15530 1/20 0.37
MTOR P42345 1/20 0.37
ALPG P10696 1/20 0.37
PTK2B Q14289 1/20 0.37
IDO1 P14902 1/20 0.36
FOLH1 Q04609 1/20 0.36

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
SCHEMBL5850148 0.91 TSHR (0.61) TSHRCETPHPGDALDH1A1SRC
SCHEMBL10528706 0.84 TSHR (0.53) TSHRCETPHPGDALDH1A1SRC
SCHEMBL4350991 0.82 TSHR (0.52) TSHRCETP
SCHEMBL4154492 0.82 TSHR (0.56) TSHRCETPHPGDALDH1A1SRC
SCHEMBL29182982 0.81 TSHR (0.59) TSHRCETPALDH1A1SRCNPC1
SCHEMBL13537853 0.81 TSHR (0.50) TSHRCETPHPGDNPC1RAB9A
SCHEMBL7290859 0.80 TSHR (0.53) TSHRCETPHPGDALDH1A1SRC
SCHEMBL218693 0.79 TSHR (0.57) TSHRCETPALDH1A1SRCNPC1
SCHEMBL10825547 0.79 TSHR (0.52) TSHRCETPHPGDSRC
SCHEMBL12707989 0.78 AKR1B1 (0.55) TSHRCETPALDH1A1FOLH1

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
WO-1996000733-A1 DIPHOSPHATE OR TRIPHOSPHATE NON-HYDROLYSABLE STABLE ANALOGUES AND METHODS FOR THEIR PREPARATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1996-01-11 WO disclosed