SCHEMBL4025463

SCHEMBL4025463

CC(C)C(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
SIRT2 Q8IXJ6 14/20 0.36
ENPP2 Q13822 1/20 0.36
KMT2A Q03164 1/20 0.33
NMBR P28336 1/20 0.32
TRPA1 O75762 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL1039275 0.88 CYP11B1 (0.41) CYP11B1CYP11B2SIRT2ENPP2KMT2A
SCHEMBL8803490 0.84 CYP11B1 (0.43) CYP11B1CYP11B2SIRT2ENPP2KMT2A
SCHEMBL21193061 0.84 SIRT2 (0.35) CYP11B1CYP11B2SIRT2ENPP2KMT2A
SCHEMBL9587793 0.81 CYP11B1 (0.41) CYP11B1CYP11B2SIRT2ENPP2KMT2A
SCHEMBL5060964 0.81 LMNA (0.40) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL5474675 0.81 SIRT2 (0.40) CYP11B1CYP11B2SIRT2ENPP2NMBR
SCHEMBL12887208 0.81 CYP11B1 (0.41) CYP11B1CYP11B2SIRT2ENPP2KMT2A
SCHEMBL6363934 0.80 SIRT2 (0.38) CYP11B1CYP11B2SIRT2ENPP2NMBR
SCHEMBL2202154 0.80 CYP11B1 (0.40) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL7453723 0.79 CYP11B1 (0.39) CYP11B1CYP11B2SIRT2ENPP2KMT2A

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-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
EP-1222174-A1 IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE Takeda Chemical Industries, Ltd. (JP) 2002-07-17 EP disclosed
WO-2001030762-A1 IMIDAZOL-4-YLMETHANOLS USE AS INHIBITORS OF STEROID C17-20 LYASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-03 WO disclosed