SCHEMBL8346755

SCHEMBL8346755

C=C(c1ccc(C(=O)O)cc1)c1cccc([Si](C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.51
RARB P10826 5/20 0.47
RXRA P19793 5/20 0.47
RARG P13631 4/20 0.47
RARA P10276 3/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
HPGD P15428 1/20 0.46
TSHR P16473 2/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
SRD5A2 P31213 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TP53 P04637 1/20 0.39
CYP26A1 O43174 1/20 0.38
ABCB11 O95342 1/20 0.38
ESR1 P03372 1/20 0.38

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
SCHEMBL8344996 0.85 HPGD (0.50) RARBRXRARARGRARARXRB
SCHEMBL8018938 0.84 ACHE (0.62) ACHEHPGDTSHRDAONAPRT
SCHEMBL8343397 0.83 ACHE (0.48) ACHEHPGDTSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL10926742 0.83 ACHE (0.61) ACHEHPGDTSHRDAONAPRT
SCHEMBL17811488 0.79 ACHE (0.43) ACHERARBRXRARARGRARA
SCHEMBL8344988 0.77 KMT2A (0.71) RARBRARGRARATSHRMEN1
SCHEMBL3103152 0.76 TSHR (0.70) RARBRXRARARGRARARXRB
SCHEMBL8347272 0.75 RXRA (0.48) RARBRXRARARGRARARXRB
SCHEMBL17453273 0.75 MEN1 (0.53) ACHEHPGDCES2CES1MEN1
SCHEMBL8350107 0.75 PTPN1 (0.59) ACHEHPGDKMT2ATP53RECQL

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 7 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 claimed
US-5155249-A Differentiating neoplastic cells, treating psoriasis, immune or inflammatory diseases TAIHO PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US claimed
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