SCHEMBL8344728

SCHEMBL8344728

C[Si](C)(C)c1cccc(NC(=O)c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.56
KCNK9 Q9NPC2 5/20 0.56
KCNK3 O14649 5/20 0.56
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
NR1H4 Q96RI1 1/20 0.52
POLB P06746 3/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FFAR1 O14842 1/20 0.50
SIRT1 Q96EB6 1/20 0.50

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
SCHEMBL8344988 0.87 KMT2A (0.71) HPSEKMT2AMEN1POLBTP53
SCHEMBL7610237 0.86 MEN1 (0.53) HPSEKMT2AMEN1POLBTP53
SCHEMBL8345183 0.85 RAB9A (0.62) KCNK9KMT2AMEN1TP53HPGD
SCHEMBL28409827 0.84 KCNK3 (0.78) HPSEKCNK9KCNK3KMT2AMEN1
SCHEMBL13066001 0.81 TOP1 (0.46) KCNK9KCNK3KMT2AMEN1TP53
SCHEMBL13065753 0.80 FADS1 (0.47) KCNK9KCNK3KMT2AMEN1POLB
SCHEMBL8462114 0.80 KMT2A (0.69) HPSEKCNK9KCNK3KMT2AMEN1
SCHEMBL8461683 0.80 MEN1 (0.73) HPSEKCNK9KCNK3KMT2AMEN1
SCHEMBL9249052 0.79 HPSE (0.84) HPSEKCNK9KCNK3KMT2AMEN1
Amsilarotene SCHEMBL1133175 0.78 MEN1 (0.58) HPSEKMT2AMEN1TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155249-A Differentiating neoplastic cells, treating psoriasis, immune or inflammatory diseases TAIHO PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US claimed
JP-1249783-A None JP disclosed
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
JP-H01249783-A NOVEL BENZOIC ACID DERIVATIVE AND PRODUCTION THEREOF SHUDO KOICHI 1989-10-05 JP disclosed