SCHEMBL30436720

SCHEMBL30436720

COc1cc(Br)cc(C)c1C1C(=O)C=CC1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.36
ERN1 O75460 2/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
PIM1 P11309 1/20 0.31
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CYP19A1 P11511 1/20 0.31
TSHR P16473 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
BRD4 O60885 1/20 0.30
BRD1 O95696 1/20 0.30
BRPF1 P55201 1/20 0.30
BRPF3 Q9ULD4 1/20 0.30
APP P05067 1/20 0.30

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
SCHEMBL19468425 1.00 NQO2 (0.36) NQO2ERN1MAPTALOX15ALOX12
SCHEMBL515622 0.86 PTGS2 (0.30)
SCHEMBL16269381 0.84 ERN1 (0.34) ERN1MAPTALOX15ALOX12PIM1
SCHEMBL30435626 0.77 NQO2 (0.41) NQO2ERN1MAPTALOX15ALOX12
SCHEMBL19468438 0.77 NQO2 (0.41) NQO2ERN1MAPTALOX15ALOX12
SCHEMBL20298467 0.75 LPAR1 (0.37) MAPTNPC1TSHRKDM4E
SCHEMBL430150 0.73 TAS1R3 (0.31) KDM4E
SCHEMBL1654108 0.70 ALDH1A1 (0.31)
SCHEMBL24516517 0.65 MEN1 (0.45) MAPTCYP19A1TSHRLMNA
SCHEMBL16269464 0.64 ERN1 (0.35) NQO2ERN1MAPTALOX15ALOX12

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
CN-112142586-B Ketone or oxime compounds and herbicides 日产化学株式会社 2023-05-09 CN disclosed