SCHEMBL7514478

SCHEMBL7514478

CC(C)(C)OC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)c1ccc(O)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 1/20 0.47
▸ ROCK2 O75116 2/20 0.45
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ LCK P06239 1/20 0.42
▸ ITGA4 P13612 1/20 0.42
▸ ITGB7 P26010 1/20 0.42
▸ ACACB O00763 1/20 0.42
▸ ABCB1 P08183 1/20 0.41

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
SCHEMBL7514473 1.00 LNPEP (0.47) LNPEPROCK2CA1CA2POLB
SCHEMBL28217498 0.90 LNPEP (0.58) LNPEPROCK2CA1CA2POLB
SCHEMBL28217499 0.90 LNPEP (0.58) LNPEPROCK2CA1CA2POLB
SCHEMBL7703695 0.88 LNPEP (0.53) LNPEPROCK2CA1CA2POLB
SCHEMBL6140530 0.78 LCK (0.67) LNPEPCA1CA2GAARAB9A
SCHEMBL17486396 0.77 LNPEP (0.52) LNPEPROCK2CA1CA2POLB
SCHEMBL24835066 0.77 ACACB (0.47) POLBMAPTTDP1ITGA4ITGB7
SCHEMBL19364232 0.77 ACACB (0.48) POLBMAPTTDP1ITGA4ITGB7
SCHEMBL19364226 0.76 ACACB (0.47) POLBMAPTTDP1ITGA4ITGB7
SCHEMBL22384242 0.76 LNPEP (0.55) LNPEPROCK2CA1CA2POLB

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-6362165-B1 Hydroxyphenyl derivatives with HIV integrase inhibitory properties PHARMACOR INC. (CA) 2002-03-26 — — US disclosed
EP-1165492-A1 HYDROXYPHENYL DERIVATIVES WITH HIV INTEGRASE INHIBITORY PROPERTIES Pharmacor Inc. (CA) 2002-01-02 — — EP disclosed
WO-2000059867-A1 HYDROXYPHENYL DERIVATIVES WITH HIV INTEGRASE INHIBITORY PROPERTIES PHARMACOR INC. (CA) 2000-10-12 — — WO disclosed
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