SCHEMBL7445362

SCHEMBL7445362

COCCNC(=O)c1ccc(CO)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.64
ALDH1A1 P00352 1/20 0.64
KMT2A Q03164 3/20 0.58
EPHX2 P34913 1/20 0.54
NAMPT P43490 1/20 0.52
NPC1 O15118 4/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.51
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL2056358 0.86 HPGD (0.64) HPGDALDH1A1KMT2ANAMPTNPC1
SCHEMBL19465880 0.85 HPGD (0.62) HPGDALDH1A1KMT2ANAMPTNPC1
SCHEMBL9229365 0.85 ALDH1A1 (0.67) HPGDALDH1A1KMT2ANAMPTNPC1
SCHEMBL19634404 0.85 LOXL2 (0.64) HPGDALDH1A1KMT2ANAMPTNPC1
SCHEMBL14393608 0.83 HPGD (0.60) HPGDALDH1A1KMT2ANAMPTNPC1
SCHEMBL23470985 0.82 HPGD (0.73) HPGDALDH1A1KMT2ANPC1MEN1
SCHEMBL757478 0.82 NPC1 (0.73) HPGDALDH1A1KMT2ANPC1POLB
SCHEMBL4506194 0.82 ALDH1A1 (0.68) HPGDALDH1A1KMT2ANPC1MEN1
SCHEMBL4694425 0.82 ALDH1A1 (0.68) HPGDALDH1A1KMT2ANPC1POLB
SCHEMBL10788676 0.82 KDM4E (0.58) ALDH1A1KMT2AEPHX2NAMPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP disclosed
EP-0912567-B1 CARBOLINE DERIVATIVES ICOS CORP (US) 2002-04-10 EP disclosed
US-6306870-B1 PHOSPHODIESTERASE ENZYME INHIBITORS, CARDIOVASCULAR DISORDERS AND SEXUAL DISORDERS ICOS CORPORATION 2001-10-23 US disclosed
CN-1067071-C Carboline derivatives ICOS CORP (US) 2001-06-13 CN disclosed
US-6117881-A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE ICOS CORPORATION (US) 2000-09-12 US disclosed
US-6043252-A A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP-SPECIFIC PDE); TREATING CARDIOVASCULAR DISORDERS AND ERECTILE DYSFUNCTION ICOS CORPORATION (US) 2000-03-28 US disclosed
CN-1218471-A Carboline derivatives ICOS CORP (US) 1999-06-02 CN disclosed
EP-0912567-A1 CARBOLINE DERIVATIVES ICOS CORPORATION (US) 1999-05-06 EP disclosed
WO-1997043287-A1 CARBOLINE DERIVATIVES ICOS CORPORATION (US) 1997-11-20 WO disclosed
EP-0661266-A1 Substituted cyclic amine compounds as 5HT2 antagonists TOA EIYO LTD. (JP) 1995-07-05 EP disclosed