SCHEMBL7914818

SCHEMBL7914818

C[C@@](O)(c1ncc[nH]1)c1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.51
CASR P41180 2/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 2/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
MDM2 Q00987 1/20 0.35
OGG1 O15527 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31

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
SCHEMBL697512 1.00 CYP19A1 (0.51) CYP19A1CASRNPC1RAB9ACYP3A4
SCHEMBL697816 0.88 CYP19A1 (0.51) CYP19A1CASRNPC1RAB9ACYP3A4
SCHEMBL11531941 0.85 CYP19A1 (0.62) CYP19A1CASRNPC1RAB9ACYP3A4
SCHEMBL27733474 0.83 CYP19A1 (0.47) CYP19A1NPC1RAB9ACYP3A4MAPK1
SCHEMBL698443 0.83 CYP19A1 (0.40) CYP19A1CYP3A4MAPK1ALDH1A1CYP1A2
SCHEMBL6299558 0.82 CYP19A1 (0.46) CYP19A1CASRRAB9ACYP3A4MAPK1
SCHEMBL696482 0.79 CYP19A1 (0.44) CYP19A1NPC1RAB9AALDH1A1MDM2
SCHEMBL11137594 0.79 CYP19A1 (0.48) CYP19A1CASRNPC1RAB9ACYP3A4
SCHEMBL11532106 0.78 CYP19A1 (0.61) CYP19A1CASRNPC1RAB9ACYP3A4
SCHEMBL697717 0.77 CYP19A1 (0.51) CYP19A1CYP3A4MDM2MEN1KMT2A

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-6207695-B1 INHIBITING GROWTH OF FUNGUS IN ASSOCIATION WITH A PLANT COMPRISING APPLYING TO THE LOCUS OF A PLANT A FUNGICIDALLY EFFECTIVE AMOUNT OF THE (S)-ENANTIOMER OF 1-(2-(2,4-DICHLOROPHENYL)-2-(2-PROPENYLOXY)ETHYL)-1H-IMIDAZOLE CELGENE CORPORATION 2001-03-27 US disclosed