SCHEMBL10408557

SCHEMBL10408557

COc1ccc2c(c1)C(OC(C)=O)CCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
HTR7 P34969 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
ENPP2 Q13822 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
HTR1A P08908 3/20 0.43
MTNR1A P48039 7/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
MTNR1B P49286 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 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
SCHEMBL28001849 0.82 TRPV1 (0.40) KDM4EALDH1A1HCRTR2NPC1RAB9A
SCHEMBL30812977 0.80 POLB (0.44) HTR7SMN1; SMN2KDM4EPKM
SCHEMBL9785817 0.80 POLB (0.44) HTR7SMN1; SMN2KDM4EPKM
SCHEMBL1845395 0.79 PTGDR2 (0.49) ENPP2HTR1A
SCHEMBL6799198 0.78 ENPP2 (0.48) HTR2BSIGMAR1HTR7TMEM97ENPP2
SCHEMBL9669326 0.77 HTR1A (0.58) HTR2BSIGMAR1HTR7TMEM97ENPP2
SCHEMBL25659961 0.76 ENPP2 (0.49) HTR2BSIGMAR1HTR7TMEM97ENPP2
SCHEMBL206776 0.76 MTNR1A (0.49) GABRA1GABRB2MTNR1AHCRTR1HCRTR2
SCHEMBL9668110 0.76 HTR1A (0.44) HTR2BSIGMAR1HTR7TMEM97ENPP2
SCHEMBL5226600 0.76 MTNR1A (0.65) HTR1AMTNR1AMTNR1B

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-4977166-A ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS RHONE-POULENC SANTE (FR) 1990-12-11 US disclosed