SCHEMBL31142998

SCHEMBL31142998

Clc1ccccc1CC1(C2(Cl)CC2)CO1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.38
PNMT P11086 1/20 0.38
CYP2A13 Q16696 2/20 0.37
TAAR1 Q96RJ0 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSD11B1 P28845 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
PKM P14618 1/20 0.33

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
SCHEMBL6573590 1.00 IDO1 (0.38) IDO1PNMTCYP2A13TAAR1NPC1
SCHEMBL22371807 0.81 TAAR1 (0.36) IDO1CYP2A13TAAR1ALDH1A1MEN1
SCHEMBL8937863 0.81 IDO1 (0.37) IDO1PNMTCYP2A13TAAR1NPC1
SCHEMBL9683385 0.79 ALDH1A1 (0.40) IDO1PNMTCYP2A13TAAR1ALDH1A1
SCHEMBL22371799 0.78 KDM1A (0.35)
SCHEMBL29290780 0.71 IDO1 (0.41) IDO1PNMTCYP2A13TAAR1NPC1
SCHEMBL9353042 0.69 KCNH2 (0.39) IDO1PNMTCYP2A13TAAR1NPC1
SCHEMBL8021114 0.69 IDO1 (0.38) IDO1PNMTCYP2A13TAAR1NPC1
SCHEMBL1824822 0.68 MAOA (0.52) IDO1PNMTTAAR1NPC1RAB9A
SCHEMBL376355 0.66 ALDH1A1 (0.42) IDO1PNMTCYP2A13NPC1RAB9A

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-118772072-A Production process of prothioconazole 甘肃兰沃科技有限公司 2024-10-15 CN disclosed