SCHEMBL4028339

SCHEMBL4028339

CCOC(=O)c1ccc2cc3c(cc2c1)CCO3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
CLK1 P49759 1/20 0.49
MAPT P10636 6/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
OGA O60502 1/20 0.44
TAS1R3 Q7RTX0 3/20 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
SCHEMBL4027801 0.82 RAB9A (0.57) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL9979785 0.79 CA12 (0.62) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL707407 0.78 CA12 (0.67) RAB9AMAPTALDH1A1LMNAKDM4E
SCHEMBL4848144 0.77 CTNNB1 (0.56) RAB9ANPC1CLK1MAPTALDH1A1
SCHEMBL1960994 0.77 CA12 (0.65) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL15800506 0.76 CTNNB1 (0.52) RAB9ANPC1CLK1MAPTALDH1A1
SCHEMBL1464834 0.75 MAPK1 (0.69) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL12338713 0.74 RAB9A (0.56) RAB9ANPC1CLK1MAPTALDH1A1
SCHEMBL2761208 0.74 CA12 (0.57) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL18987822 0.73 MAOB (0.43) RAB9ANPC1CLK1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222174-B1 IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE TAKEDA PHARMACEUTICAL (JP) 2009-05-27 EP disclosed
US-6649643-B1 Antitumor, anticarcinogenic, and antimetastasis agents; benign prostatic hyperplasia, alopecia, endometriosis, uterine myoma, hirsutism, virilism, precocious puberty, mastopathy, and polycystic overay syndrome treatment TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-18 US disclosed