SCHEMBL10409062

SCHEMBL10409062

CC1(C)[C@H]2CC[C@]1(C)[C@@H](Oc1ccccc1)C2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
MAPT P10636 4/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 2/20 0.48
CYP19A1 P11511 2/20 0.44
MEN1 O00255 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ELANE P08246 2/20 0.41
CXCR3 P49682 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
SCN9A Q15858 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL10409063 1.00 CYP2C19 (0.53) CYP2C19MAPTKMT2AMAPK1CYP19A1
SCHEMBL11587371 0.87 FFAR1 (0.51) CYP2C19MAPTKMT2AMAPK1CYP19A1
SCHEMBL11585379 0.84 MAPT (0.63) CYP2C19MAPTKMT2AMAPK1CYP19A1
SCHEMBL2913021 0.84 MAPT (0.46) CYP2C19MAPTKMT2AMAPK1CYP19A1
SCHEMBL7992979 0.83 MAPT (0.57) CYP2C19MAPTKMT2AMAPK1CYP19A1
SCHEMBL2914821 0.83 MAPT (0.45) CYP2C19MAPTKMT2AMAPK1CYP19A1
SCHEMBL2921356 0.81 CYP19A1 (0.45) CYP2C19MAPTKMT2AMAPK1CYP19A1
SCHEMBL2922439 0.80 CXCR3 (0.45) CYP2C19MAPTKMT2AMAPK1CYP19A1
SCHEMBL12760765 0.79 MAPT (0.50) CYP2C19MAPTKMT2AMAPK1CYP19A1
SCHEMBL3364961 0.79 MAPT (0.50) CYP2C19MAPTKMT2AMAPK1CYP19A1

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-4966756-A TERPENOID STERILIZING AGENT VSESOJUZNY NAUCHNO-ISSLEDOVATELSKY INSTITUT SELSKOKHOZYAISTVENNOI BIOTEKHNOLOGII VSESOJUZNOI AKADEMII SELSKOKHOZYAISTVENNYKH NAUK IMENI V.I. LENINA (RU) 1990-10-30 US disclosed
EP-0363487-A1 METHOD OF STERILIZING PLANT ANTHERS VSESOJUZNY NAUCHNO-ISSLEDOVATELSKY INST. SELSKOKHOZYAISTV. BIOTEKH. VSESOJUZNOI AK. SELSKOKHOZYAISTV. NAUK IMENI V.I. LENINA (SU) 1990-04-18 EP disclosed