SCHEMBL9845391

SCHEMBL9845391

CCC(CC)(CC(=O)O)Sc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
FFAR1 O14842 1/20 0.42
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.35
MTNR1A P48039 4/20 0.35
MTNR1B P49286 4/20 0.35
PKM P14618 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.35
PAX8 Q06710 1/20 0.35
RIPK1 Q13546 2/20 0.34
CXCL12 P48061 1/20 0.34
KIF11 P52732 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL10630052 0.75 CYP2C19 (0.43) CYP2C19HIF1AALDH1A1SMN1; SMN2LMNA
SCHEMBL8324373 0.73 FFAR1 (0.41) FFAR1ALDH1A1HPGDMTNR1AMTNR1B
SCHEMBL10079038 0.72 ALDH1A1 (0.32) ALDH1A1HPGDPKMSMN1; SMN2MEN1
SCHEMBL17766185 0.72 FFAR1 (0.39) CYP2C19HIF1AFFAR1ALDH1A1HPGD
SCHEMBL24484042 0.70 MAPT (0.40) CYP2C19ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL4592580 0.70 ALDH1A1 (0.41) FFAR1ALDH1A1HPGDPKMMEN1
SCHEMBL719566 0.70 TGM2 (0.40) CYP2C19ALDH1A1HPGDMTNR1AMTNR1B
SCHEMBL11211696 0.69 OPRM1 (0.42) FFAR1ALDH1A1HPGDMTNR1AMTNR1B
SCHEMBL9463528 0.69 ALDH1A1 (0.38) FFAR1ALDH1A1HPGDMTNR1AMTNR1B
SCHEMBL16016898 0.68 ALDH1A1 (0.47) CYP2C19HIF1AFFAR1ALDH1A1HPGD

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-0420266-A2 Chromene or thiochromene derivatives, process for preparing the same, intermediate therefor, pharmaceutical compositions containing said derivatives and the use of said derivatives TANABE SEIYAKU CO., LTD. (JP) 1991-04-03 EP disclosed