SCHEMBL9185034

SCHEMBL9185034

CCC(C)(C)C1(c2ccc(C(=O)O)cc2)OCCO1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.43
RXRB P28702 5/20 0.43
CYP26A1 O43174 2/20 0.43
CYP26B1 Q9NR63 2/20 0.43
RXRG P48443 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
SRD5A2 P31213 1/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34

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
SCHEMBL9177239 0.84 RXRA (0.47) RXRARXRBCYP26A1CYP26B1RXRG
SCHEMBL22250079 0.71 SRD5A2 (0.57) RXRARXRBCYP26A1CYP26B1RXRG
SCHEMBL9180083 0.70 NOS1 (0.40) RXRARXRBCYP26A1CYP26B1ALDH1A1
SCHEMBL9179713 0.68 ALDH1A1 (0.42) ALDH1A1HPGDSMN1; SMN2
SCHEMBL9184572 0.68 HDAC1 (0.50)
SCHEMBL22249947 0.68 RXRA (0.56) RXRARXRBCYP26A1CYP26B1RXRG
SCHEMBL9182861 0.67 RXRA (0.52) RXRARXRBCYP26A1CYP26B1RXRG
Terephthalic Acid SCHEMBL10332533 0.65 TSHR (0.75) RXRARXRBRXRGALDH1A1SRD5A2
Terephthalic Acid SCHEMBL27306913 0.65 TSHR (0.75) RXRARXRBALDH1A1KMT2AMEN1
SCHEMBL5471636 0.64 ALDH1A1 (0.52) RXRARXRBRXRGALDH1A1KMT2A

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