SCHEMBL4031697

SCHEMBL4031697

CC(C)(C)[Si](C)(C)Oc1ccc2cc(Br)ccc2c1Cl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 3/20 0.53
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
POLB P06746 1/20 0.36
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA9 Q16790 4/20 0.35
RXFP1 Q9HBX9 4/20 0.35
NT5E P21589 1/20 0.35
KMT2A Q03164 2/20 0.33
EPHA2 P29317 1/20 0.33
KDR P35968 1/20 0.33
EPHB4 P54760 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL7192013 0.86 LMNA (0.40) NCEH1LMNASMN1; SMN2L3MBTL1POLB
SCHEMBL1414983 0.85 LMNA (0.42) NCEH1LMNASMN1; SMN2L3MBTL1POLB
SCHEMBL932790 0.79 TSHR (0.40) LMNASMN1; SMN2KMT2AMEN1
SCHEMBL13781592 0.79 NCEH1 (0.60) NCEH1LMNASMN1; SMN2L3MBTL1CYP19A1
SCHEMBL4025646 0.76 NCEH1 (0.44) NCEH1LMNASMN1; SMN2L3MBTL1POLB
SCHEMBL14992971 0.76 HTR2A (0.36) LMNAPOLBCA12CA1CA9
SCHEMBL1415192 0.74 CA12 (0.39) NCEH1LMNASMN1; SMN2L3MBTL1CA12
SCHEMBL30186537 0.74 CA12 (0.58) NCEH1LMNASMN1; SMN2L3MBTL1CA12
SCHEMBL30393256 0.74 RAB9A (0.43) LMNASMN1; SMN2L3MBTL1POLBKMT2A
SCHEMBL2287094 0.74 RAB9A (0.43) LMNASMN1; SMN2L3MBTL1POLBKMT2A

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