SCHEMBL8345183

SCHEMBL8345183

COC(=O)c1ccc(C(=O)Nc2cccc([Si](C)(C)C)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.62
KMT2A Q03164 6/20 0.55
MEN1 O00255 4/20 0.55
NPC1 O15118 7/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
TP53 P04637 4/20 0.54
ALDH1A1 P00352 2/20 0.54
PKM P14618 2/20 0.54
PTPN1 P18031 1/20 0.54
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
ATM Q13315 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52
PSMD14 O00487 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51

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
SCHEMBL11710023 0.86 RAB9A (0.76) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL8344728 0.85 HPSE (0.56) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL4608617 0.81 SMN1; SMN2 (0.76) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL23070479 0.79 RAB9A (0.80) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL8343416 0.79 NPC1 (0.59) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL8343312 0.79 TSHR (0.52) RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL13066001 0.78 TOP1 (0.46) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL2835923 0.78 PTPN1 (0.81) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL13065753 0.78 FADS1 (0.47) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL677770 0.77 RAB9A (1.00) RAB9AKMT2AMEN1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE36477-E 4-(3,5-BIS(TRIMETHYLSILYLPHENYL)CARBOXAMIDO)BENZOIC ACID; DIFFERENTIATION-INDUCING REAGENT OR CELLS; ANTICARCINOGENTIC, -TUMOR,-INFLAMMATORY AND -PROLIFERATIVE AGENTS; PSORIASIS; LEUKEMIA; IMMUNOLOGY TAIHO PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0337176-B1 Novel benzoic acid derivatives and process for preparing the same SHUDO KOICHI (JP) 1994-12-21 EP disclosed
US-5155249-A Differentiating neoplastic cells, treating psoriasis, immune or inflammatory diseases TAIHO PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
US-5081271-A Differentiation-inducing agent for neoplastic cells; therapeutic agent for psoriasis or immune and inflammatory diseases TAIHO PHARMACEUTICAL CO., LTD. (JP) 1992-01-14 US disclosed
EP-0337176-A2 Novel benzoic acid derivatives and process for preparing the same Shudo, Koichi, Prof. Dr. (JP) 1989-10-18 EP disclosed