SCHEMBL4739425

SCHEMBL4739425

CCOC(=C(C(=O)O)C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 3/20 0.50
NPC1 O15118 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 3/20 0.45
RAB9A P51151 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PIN1 Q13526 1/20 0.43

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
SCHEMBL7553666 0.87 ALDH1A1 (0.57) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL18812998 0.83 KMT2A (0.49) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL11828108 0.83 ALDH1A1 (0.53) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL6144651 0.83 ALDH1A1 (0.53) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL18171567 0.82 TSHR (0.53) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL9565752 0.81 KMT2A (0.47) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL27879907 0.81 KMT2A (0.48) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL18578741 0.79 MAPT (0.45) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL9473949 0.78 TSHR (0.48) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL27528805 0.78 ALDH1A1 (0.56) KMT2AMEN1MAPTNPC1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2810944-A1 HETEROCYCLIC COMPOUND HAVING ANTI-HIV ACTIVITY Toyama Chemical Co., Ltd. (JP) 2014-12-10 EP disclosed
EP-1928873-A1 DIHYDROQUINOPHENANTHRINE DIONE AND TETRAHYDROQUINOPHENANTHRINE DIONE FLUORESCENT WHITENING AGENTS Ciba Holding Inc. (CH) 2008-06-11 EP disclosed
WO-2007028734-A1 DIHYDROQUINOPHENANTHRINE DIONE AND TETRAHYDROQUINOPHENANTHRINE DIONE FLUORESCENT WHITENING AGENTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-03-15 WO disclosed
US-4482555-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS, AND ANALGESIC FARMITALIA CARLO ERBA S.P.A. (IT) 1984-11-13 US disclosed