SCHEMBL4755311

SCHEMBL4755311

COc1ccc(-c2cc(C)[c]s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PGR P06401 1/20 0.47
ADRB2 P07550 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
MAOA P21397 1/20 0.47
TBXA2R P21731 1/20 0.47
SLC6A2 P23975 1/20 0.47
NPY1R P25929 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
AGTR1 P30556 1/20 0.47
CCKBR P32239 1/20 0.47
AVPR1A P37288 1/20 0.47
MC3R P41968 1/20 0.47
CHRNA4 P43681 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
SLC29A1 Q99808 1/20 0.47

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
SCHEMBL4754741 0.84 CYP1A1 (0.47) ABL1ABCB1BCRCYP1A1CYP1A2
SCHEMBL694864 0.80 ESR1 (0.37) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4757273 0.72 ACHE (0.41) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL1895969 0.70 APP (0.52) APPMEN1KMT2APGRADRB2
SCHEMBL1416312 0.69 APP (0.55) APPMEN1KMT2APGRADRB2
SCHEMBL4757901 0.69 ESR2 (0.42) KMT2APGRCYP1A2TP53ALDH1A1
SCHEMBL1181273 0.69 APP (1.00) APPMEN1KMT2APGRADRB2
SCHEMBL697263 0.68 ABL1 (0.57) APPABL1ABCB1BCRCYP1A1
SCHEMBL13164261 0.68 APP (0.59) APPMEN1KMT2APGRADRB2
SCHEMBL3472967 0.68 APP (0.59) APPMEN1KMT2APGRADRB2

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
WO-2008126684-A2 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO disclosed