SCHEMBL8347272

SCHEMBL8347272

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.48
RARB P10826 6/20 0.48
RARG P13631 5/20 0.48
RARA P10276 3/20 0.48
RXRB P28702 2/20 0.48
RXRG P48443 2/20 0.48
TSHR P16473 2/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
SRD5A2 P31213 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TP53 P04637 1/20 0.40
CYP26A1 O43174 1/20 0.39
ABCB11 O95342 1/20 0.39
ESR1 P03372 1/20 0.39
PGR P06401 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL8347350 0.84 RXRA (0.47) RXRARARBRARGRARARXRB
SCHEMBL3103152 0.78 TSHR (0.70) RXRARARBRARGRARARXRB
SCHEMBL9715889 0.76 CA12 (0.58) RXRARXRBTSHRDAONAPRT
SCHEMBL8346755 0.75 ACHE (0.51) RXRARARBRARGRARARXRB
Benzoic Acid SCHEMBL28138258 0.75 TSHR (0.74) TSHRDAONAPRTCES2CES1
SCHEMBL8528933 0.75 TSHR (0.71) RXRARARBRARGRARARXRB
SCHEMBL8343372 0.75 TSHR (0.55) TSHRMEN1KMT2ACA12CA1
SCHEMBL8343659 0.74 PTPN1 (0.60) KMT2ATP53RECQLBLMALDH1A1
SCHEMBL8343657 0.74 PTPN1 (0.60) KMT2ATP53RECQLBLMALDH1A1
SCHEMBL8345521 0.72 ALDH1A1 (0.48) MEN1KMT2AALDH1A1SMN1; 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