SCHEMBL9779541

SCHEMBL9779541

CC(C)(C)CC(C)(C)c1ccc(O)c(C(=O)O)c1.Cc1ccccc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HNF4A P41235 3/20 0.40
▸ CSNK2A1 P68400 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PTPN5 P54829 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ ACMSD Q8TDX5 3/20 0.37
▸ DHFR P00374 1/20 0.37
▸ GLO1 Q04760 1/20 0.36
▸ SHBG P04278 1/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ ESR2 Q92731 1/20 0.36

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
SCHEMBL1110466 0.83 CYP3A4 (0.50) MCL1ALDH1A1HNF4ACSNK2A1CYP3A4
SCHEMBL29987613 0.83 CYP3A4 (0.50) MCL1ALDH1A1HNF4ACSNK2A1CYP3A4
SCHEMBL7773029 0.82 CYP3A4 (0.49) MCL1ALDH1A1HNF4ACSNK2A1CYP3A4
SCHEMBL7773033 0.82 CYP3A4 (0.49) MCL1ALDH1A1HNF4ACSNK2A1CYP3A4
SCHEMBL9774624 0.76 MCL1 (0.67) MCL1ALDH1A1TSHRHNF4AACMSD
SCHEMBL13755067 0.75 CYP3A4 (0.50) CYP3A4CYP2D6HIF1AMEN1KMT2A
SCHEMBL9774603 0.73 MCL1 (0.44) MCL1ALDH1A1TSHRHNF4ACSNK2A1
SCHEMBL317178 0.72 SHBG (0.50) ALDH1A1TSHRHNF4ACYP3A4CYP2D6
SCHEMBL11361995 0.72 HNF4A (0.44) MCL1ALDH1A1HNF4ACSNK2A1CYP3A4
SCHEMBL9652299 0.72 HNF4A (0.54) MCL1ALDH1A1HNF4ACSNK2A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5034370-A Reaction product of a salicylic acid derivative with formaldehyde and an aromatic compound SUMITOMO DUREZ COMPANY, LTD. (JP) 1991-07-23 — — US disclosed
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