SCHEMBL9178487

SCHEMBL9178487

CC(C)(C)C(F)(F)c1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.57
RARB P10826 1/20 0.52
RARG P13631 1/20 0.52
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
EPHX2 P34913 3/20 0.49
NR1H4 Q96RI1 3/20 0.49
RXRA P19793 3/20 0.47
RXRB P28702 3/20 0.47
RXRG P48443 2/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 1/20 0.46
NR4A2 P43354 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL4861421 0.88 SRD5A2 (0.57) SRD5A2RARBRARGTP53TSHR
SCHEMBL4859943 0.84 SRD5A2 (0.53) SRD5A2RARBRARGTP53TSHR
SCHEMBL3241556 0.83 SRD5A2 (0.61) SRD5A2RARBRARGTP53TSHR
SCHEMBL30144875 0.83 SRD5A2 (0.61) SRD5A2RARBRARGTP53TSHR
SCHEMBL16429445 0.83 SRD5A2 (0.61) SRD5A2RARBRARGTP53TSHR
SCHEMBL4131036 0.83 SRD5A2 (0.61) SRD5A2RARBRARGTP53TSHR
SCHEMBL107327 0.83 SRD5A2 (0.61) SRD5A2RARBRARGTP53TSHR
SCHEMBL9183366 0.82 EPHX2 (0.46) TSHREPHX2NR1H4ALDH1A1TDP1
SCHEMBL30144881 0.81 SRD5A2 (0.59) SRD5A2RARBRARGTP53TSHR
Hydrochloric Acid SCHEMBL11564114 0.81 SRD5A2 (0.59) SRD5A2RARBRARGTP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378728-A Benzoic acid derivatives as antidiabetic agents SANDOZ LTD. (CH) 1995-01-03 US claimed
US-5378728-A Benzoic acid derivatives as antidiabetic agents SANDOZ LTD. (CH) 1995-01-03 US disclosed