SCHEMBL7973530

SCHEMBL7973530

COc1ccc(OC(C)CCO)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
SLC6A4 P31645 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
ABCB11 O95342 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL19188889 0.84 ABL1 (0.41) MTNR1AMTNR1BALDH1A1LMNAABL1
SCHEMBL11127176 0.83 MTNR1A (0.56) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL4181386 0.82 LDHA (0.44) MTNR1AMTNR1BSLC6A4ALDH1A1LMNA
SCHEMBL25083791 0.82 SMN1; SMN2 (0.46) MTNR1AMTNR1BABCB11ABL1
SCHEMBL4665496 0.82 MTNR1A (0.51) MTNR1AMTNR1BSLC6A4ALDH1A1LMNA
SCHEMBL8403267 0.80 CA12 (0.44) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL7973526 0.80 MTNR1A (0.53) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL9869716 0.79 MTNR1A (0.55) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL11759003 0.78 MTNR1A (0.47) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL250952 0.78 SLC6A4 (0.44) SLC6A4DRD2ALDH1A1LMNACYP2C9

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