SCHEMBL10693640

SCHEMBL10693640

CCOC(=O)c1ccc2c(c1)C(n1nc(O)ccc1=O)=CC(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
RECQL P46063 1/20 0.41
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
MAPK1 P28482 1/20 0.36
JMJD6 Q6NYC1 2/20 0.35
HSD17B2 P37059 1/20 0.35
GLA P06280 1/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
NPY5R Q15761 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL10697118 0.89 RAB9A (0.37) MAPTALDH1A1CA12CA1CA2
SCHEMBL8085332 0.83 ALDH1A1 (0.46) MAPTALDH1A1RECQLUSP2ALOX15
SCHEMBL7277024 0.80 ALDH1A1 (0.42) MAPTALDH1A1RECQLUSP2ALOX15
SCHEMBL10695963 0.79 ALDH1A1 (0.41) MAPTALDH1A1RECQLUSP2ALOX15
SCHEMBL7267840 0.77 GABRA1 (0.41) MAPTALDH1A1RECQLMAPK1GAA
SCHEMBL10694147 0.76 ALDH1A1 (0.36) MAPTALDH1A1RECQLCA12CA1
SCHEMBL10694946 0.76 PDE4A (0.41)
SCHEMBL7371396 0.74 KMT2A (0.43) MAPTALDH1A1GLAGAAKMT2A
SCHEMBL7377496 0.73 CCNC (0.30)
SCHEMBL7376610 0.72 KMT2A (0.43) MAPTALDH1A1GAAKMT2A

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
EP-0273262-A2 Chroman derivatives MERCK PATENT GmbH (DE) 1988-07-06 EP disclosed