SCHEMBL8588762

SCHEMBL8588762

C[SiH](C)OC(CSc1ccc(Br)cc1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.47
SDCBP O00560 1/20 0.35
SDC2 P34741 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
GPR55 Q9Y2T6 1/20 0.30
MAOB P27338 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL8586247 0.87 MAOA (0.32) MAOAMAOB
SCHEMBL5871994 0.76 MME (0.37)
SCHEMBL8589074 0.72
SCHEMBL7765123 0.72 KMT2A (0.40) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7318312 0.69
SCHEMBL8253948 0.68 MAOA (0.70) MAOASDCBPSDC2MEN1KMT2A
SCHEMBL573866 0.67 MAOA (0.58) MAOASDCBPSDC2MEN1KMT2A
SCHEMBL507894 0.66 CYP1A2 (0.33) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL18719991 0.66 MAOA (0.61) MAOASDCBPSDC2MEN1KMT2A
SCHEMBL4773585 0.66 GBA1 (0.34)

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-0594857-B1 METHANEDIPHOSPHONIC ACID DERIVATIVE, PRODUCTION THEREOF AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 1998-04-29 EP disclosed
US-5683992-A TREATMENT OF RHEUMATISM, BONE DISORDERS, ANTIINFLAMMATORY, SUPPRESSION OF INTERLEUKIN-1, ANTIOXIDANT, TREATMENT OF AUTOIMMUNE DISEASES TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
US-5527940-A SUPPRESSES INTERLEUKIN-1 AND BONE DESTRUCTION DURING OSTEOPOROSIS; ANTIINFLAMMATORY AGENTS TORAY INDUSTRIES, INC. (JP) 1996-06-18 US disclosed
EP-0594857-A1 METHANEDIPHOSPHONIC ACID DERIVATIVE, PRODUCTION THEREOF AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-05-04 EP disclosed