SCHEMBL21362815

SCHEMBL21362815

CC(C)(CC(C)(C)C12CC3CC(CC(C3)C1)C2)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32
CACNA1H O95180 1/20 0.32

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
SCHEMBL6865274 0.77 HMGCR (0.38) ALDH1A1LMNAHSD17B10THRBCYP2C9
SCHEMBL4990698 0.74 THRB (0.38) ALDH1A1KMT2AMEN1LMNAHSD17B10
SCHEMBL14162078 0.72 GRIN2D (0.34) SMN1; SMN2LMNATHRB
SCHEMBL17061032 0.71 TET2 (0.43) ALDH1A1SMN1; SMN2LMNAHSD17B10THRB
SCHEMBL14118984 0.71 KMT2A (0.33) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL23916966 0.71 EPHX1 (0.37) ALDH1A1KMT2ASMN1; SMN2LMNACACNA1H
SCHEMBL10108763 0.71 ALDH1A1 (0.32) ALDH1A1KMT2AMEN1
SCHEMBL2194685 0.71 THRB (0.35) ALDH1A1KMT2AMEN1GRM2GRM3
SCHEMBL9724273 0.71 THRB (0.39) ALDH1A1GRM2GRM3LMNATHRB
SCHEMBL2190387 0.71 THRB (0.35) ALDH1A1KMT2AMEN1GRM2GRM3

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
EP-3373899-B1 CYCLOCARBOXYLIC ACID CONTAINING PERSONAL CARE COMPOSITIONS UNILEVER PLC (GB) 2019-09-18 EP disclosed