SCHEMBL7192033

SCHEMBL7192033

c1ccc(CC(Cc2ccccc2)c2ccccc2)cc1.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
CYP19A1 P11511 3/20 0.47
SIGMAR1 Q99720 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
EPHX1 P07099 2/20 0.46
FFAR1 O14842 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ACP3 P15309 1/20 0.44

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
SCHEMBL146771 0.93 MTNR1A (0.55) MTNR1AMTNR1BCYP19A1SIGMAR1SLC6A2
SCHEMBL28696042 0.90 MTNR1A (0.53) MTNR1AMTNR1BCYP19A1SIGMAR1SLC6A2
Hydrochloric Acid SCHEMBL30185866 0.90 MTNR1A (0.53) MTNR1AMTNR1BCYP19A1SIGMAR1SLC6A2
SCHEMBL3000165 0.86 CYP19A1 (0.50) MTNR1AMTNR1BCYP19A1SIGMAR1SLC6A2
SCHEMBL17642274 0.80 MAOB (0.56) MTNR1AMTNR1BCYP19A1SIGMAR1SLC6A2
SCHEMBL9498596 0.80 ESR1 (0.60) MTNR1AMTNR1BSIGMAR1SLC6A2
SCHEMBL1541691 0.79 GABBR2 (0.53) MTNR1AMTNR1BCYP19A1SIGMAR1SLC6A2
SCHEMBL9179418 0.79 MTNR1A (0.49) MTNR1AMTNR1BCYP19A1SIGMAR1SLC6A2
SCHEMBL6940539 0.79 CYP19A1 (0.50) MTNR1AMTNR1BCYP19A1SIGMAR1SLC6A2
SCHEMBL31379955 0.79 CALM1 (0.55) MTNR1AMTNR1BCYP19A1SIGMAR1SLC6A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0856859-B1 Impregnation process for electric capacitors ATOFINA (FR) 2003-10-08 EP disclosed
US-6010743-A FORMING POLYURETHANES ELF ATOCHEM S.A. (FR) 2000-01-04 US disclosed
EP-0856859-A1 Impregnation process for electric capacitors ELF ATOCHEM S.A. (FR) 1998-08-05 EP disclosed