SCHEMBL7973526

SCHEMBL7973526

COc1ccc(OC(C)CC[O])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
SLC6A4 P31645 1/20 0.41
MMP1 P03956 2/20 0.41
MMP13 P45452 2/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL27629520 0.82 MTNR1A (0.51) MTNR1AMTNR1BSLC6A4ALDH1A1LMNA
SCHEMBL7973530 0.80 MTNR1A (0.53) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL9869716 0.79 MTNR1A (0.55) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL11759003 0.78 MTNR1A (0.47) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL9888683 0.77 MTNR1A (0.53) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL18754954 0.77 MTNR1A (0.53) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL7170118 0.75 PDE4B (0.55) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL10899564 0.75 MTNR1A (0.51) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL11127176 0.75 MTNR1A (0.56) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL418159 0.73 CYP2C9 (0.52) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2

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-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed