SCHEMBL9616922

SCHEMBL9616922

C=CCC(O)(Cl)c1ccco1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 5/20 0.34
TDP1 Q9NUW8 2/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALOX15 P16050 2/20 0.31
HSD17B10 Q99714 2/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL24241213 0.76 MAPT (0.61) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10763870 0.76 MAPT (0.61) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL28418585 0.76 MAPT (0.47) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13246749 0.71 MAPT (0.65) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15942164 0.71 MAPT (0.55) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9585181 0.70 MAPT (0.39) MAPTALDH1A1TDP1HTTKDM4E
SCHEMBL27609999 0.70
Propane SCHEMBL9501767 0.67 MAPT (0.54) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2599459 0.67
SCHEMBL28745188 0.67 MAPT (0.48) MAPTCYP3A4CYP2D6CYP2C9CYP2C19

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-4202154-A None JP disclosed
JP-H04202154-A CHLOROALLYLHYDROXYCYCLOPENTENONE DERIVATIVE AND ITS PRODUCTION SUMITOMO CHEM CO LTD 1992-07-22 JP disclosed