SCHEMBL9469882

SCHEMBL9469882

O=C(OC1CC(CO)C1O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS9 O00182 1/20 0.46
LGALS1 P09382 1/20 0.46
LGALS3 P17931 1/20 0.46
LGALS7; LGALS7B P47929 1/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
CHRNA7 P36544 2/20 0.44
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 1/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42

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
SCHEMBL2621370 0.94 SLC5A1 (0.50) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRM2
SCHEMBL10240925 0.85 CHRM2 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRM2
SCHEMBL9470650 0.81 RAB9A (0.46) CHRM2CHRM4CHRM1CHRM3CHRNA7
SCHEMBL16359759 0.79 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3HTR3E
SCHEMBL8762522 0.79 LGALS9 (0.56) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRM2
SCHEMBL15215812 0.77 LGALS9 (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRM2
SCHEMBL12069028 0.77 LGALS9 (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRM2
SCHEMBL802486 0.76 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3CHRNA7
SCHEMBL6298700 0.75 RNASE1 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BCHRM2
SCHEMBL26806110 0.75 CHRNA7 (0.45) CHRM2CHRM4CHRM1CHRM3CHRNA7

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
US-5246931-A Triazine-substituted cyclobutane derivatives; viricides; side effect reduction BRISTOL-MYERS SQUIBB COMPANY (US) 1993-09-21 US disclosed
US-5153352-A Viricides and antitumor agent BRISTOL-MYERS SQUIBB COMPANY (US) 1992-10-06 US disclosed
EP-0366059-A2 Carbocyclic nucleoside analogs BRISTOL-MYERS SQUIBB COMPANY (US) 1990-05-02 EP disclosed