SCHEMBL11282142

SCHEMBL11282142

COc1ccc2c(c1)C=C(CC#N)CC2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.44
PTGS2 P35354 1/20 0.38
BCL2 P10415 1/20 0.37
CYP11B1 P15538 2/20 0.37
CYP19A1 P11511 1/20 0.36
TSHR P16473 1/20 0.36
HBB P68871 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD1 P21728 2/20 0.36
DRD5 P21918 2/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
MTNR1A P48039 1/20 0.34

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
SCHEMBL8533789 0.78 CYP11B2 (0.45) CYP11B2PTGS2BCL2CYP11B1CYP19A1
SCHEMBL8892654 0.77 CYP11B2 (0.47) CYP11B2PTGS2BCL2CYP11B1CYP19A1
SCHEMBL6949352 0.75 AKR1C2 (0.47) CYP11B2TSHRHSD17B10MTNR1A
SCHEMBL7305935 0.74 MTNR1A (0.43) CYP11B2CYP11B1L3MBTL1MTNR1A
SCHEMBL6958705 0.73 CYP11B2 (0.41) CYP11B2BCL2CYP11B1DRD2DRD3
SCHEMBL6825414 0.73 CYP11B2 (0.50) CYP11B2CYP11B1CYP19A1
SCHEMBL10395520 0.73 HTR1A (0.45) CYP11B2PTGS2CYP11B1CYP19A1DRD2
SCHEMBL11035078 0.73 CYP11B2 (0.51) CYP11B2PTGS2BCL2CYP11B1CYP19A1
SCHEMBL8983557 0.73 CYP11B2 (0.51) CYP11B2PTGS2BCL2CYP11B1CYP19A1
SCHEMBL8096734 0.72 PPARG (0.42) CYP11B2PTGS2TSHRHSD17B10MTNR1A

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
US-4327022-A Heterocyclic alkyl naphthols STERLING DRUG INC. (US) 1982-04-27 US disclosed
US-4169108-A 5(OR 6)-[(Substituted-amino)alkyl]-2,3-naphthalenediols STERLING DRUG INC. (US) 1979-09-25 US disclosed