SCHEMBL9587137

SCHEMBL9587137

C[SiH](C)[Ti](NC(=O)C1CCCCC1)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
P2RX7 Q99572 2/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
CETP P11597 1/20 0.34
HDAC3 O15379 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL6692031 0.76 RAB9A (0.41) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL7627840 0.72 NPC1 (0.40) NPC1RAB9ACYP2C19SMN1; SMN2HPGD
SCHEMBL7628547 0.72 NPC1 (0.40) NPC1RAB9ACYP2C19SMN1; SMN2HPGD
SCHEMBL6857282 0.72 NPC1 (0.43) NPC1RAB9ACYP2C19SMN1; SMN2HPGD
SCHEMBL5854820 0.72 NPC1 (0.39) NPC1RAB9ACYP2C19SMN1; SMN2HPGD
SCHEMBL5853698 0.72 NPC1 (0.39) NPC1RAB9ACYP2C19SMN1; SMN2HPGD
SCHEMBL5856430 0.72 NPC1 (0.39) NPC1RAB9ACYP2C19SMN1; SMN2HPGD
SCHEMBL5854780 0.72 NPC1 (0.39) NPC1RAB9ACYP2C19SMN1; SMN2HPGD
SCHEMBL5853858 0.72 NPC1 (0.39) NPC1RAB9ACYP2C19SMN1; SMN2HPGD
SCHEMBL5855675 0.72 NPC1 (0.39) NPC1RAB9ACYP2C19SMN1; SMN2HPGD

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-1993021242-A1 ETHYLENE/BRANCHED OLEFIN COPOLYMERS EXXON CHEMICAL PATENTS INC. (US) 1993-10-28 WO disclosed