SCHEMBL9052363

SCHEMBL9052363

O=C(c1ccccc1)C1(C(=O)c2ccccc2)CC=CC=C1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.36
LMNA P02545 1/20 0.35
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
DAO P14920 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 2/20 0.31
FASN P49327 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 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
SCHEMBL9858334 0.87 TSHR (0.36) LMNANPC1RAB9ACES2CES1
SCHEMBL505430 0.85 AKR1C1 (0.35) KMONPC1RAB9ASMN1; SMN2MEN1
SCHEMBL27599522 0.83 AKR1C1 (0.34) KMONPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9861595 0.82 SMN1; SMN2 (0.35) KMOLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL30223732 0.81 KMO (0.34) KMOLMNACA2CA4NPC1
SCHEMBL28172298 0.78 MEN1 (0.39) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL28176754 0.75 PDCD1 (0.41) LMNACA2NPC1RAB9ATSHR
SCHEMBL28737049 0.75 SMN1; SMN2 (0.47) SMN1; SMN2
SCHEMBL8858053 0.74 FAAH (0.41) LMNANPC1RAB9ACTDSP1ALDH1A1
SCHEMBL27923427 0.74 ALDH1A1 (0.41) LMNACA2RAB9ATSHRALDH1A1

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-1996039455-A1 NICKEL PHOSPHITE CATALYSTS MAXDEM INCORPORATED (US) 1996-12-12 WO disclosed