SCHEMBL9599418

SCHEMBL9599418

Cc1ccc(-c2ccc(C(=O)O)cc2)c(C)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.46
RXRB P28702 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SRD5A2 P31213 2/20 0.45
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
ADH5 P11766 1/20 0.43
FOLH1 Q04609 2/20 0.42
RARB P10826 2/20 0.41
RARG P13631 1/20 0.41
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
RARA P10276 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL5720759 0.85 ESR2 (0.44) SMN1; SMN2TSHRFOLH1
SCHEMBL28376237 0.85 ALDH1A1 (0.56) RXRARXRBALDH1A1SMN1; SMN2SRD5A2
SCHEMBL9797568 0.80 AKR1C3 (0.55) RXRARXRBFOLH1NR1H4
SCHEMBL11492239 0.79 RXRA (0.46) RXRARXRB
SCHEMBL17707307 0.77 MAP4K4 (0.46) RXRARXRBALDH1A1SMN1; SMN2SRD5A2
SCHEMBL30159253 0.76 NR1H4 (0.51) RXRARXRBALDH1A1SMN1; SMN2SRD5A2
SCHEMBL842987 0.76 FOLH1 (0.49) RXRARXRBALDH1A1SMN1; SMN2SRD5A2
SCHEMBL2951399 0.76 NR1H4 (0.51) RXRARXRBALDH1A1SMN1; SMN2SRD5A2
Hydrochloric Acid SCHEMBL26632024 0.76 MKNK1 (0.46) SMN1; SMN2HSD17B1
SCHEMBL11507830 0.76 RARB (0.63) RXRARXRBALDH1A1SMN1; SMN2SRD5A2

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
JP-5331273-A None JP disclosed
JP-H05331273-A AROMATIC COPOLYESTER UBE IND LTD 1993-12-14 JP disclosed