SCHEMBL31361090

SCHEMBL31361090

CCCC(C)(C)N(OCc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.44
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CETP P11597 3/20 0.39
MBOAT4 Q96T53 1/20 0.39

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
SCHEMBL5713032 0.82 SMN1; SMN2 (0.49) RIPK1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3971428 0.74 NPC1 (0.45) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL27078358 0.71 ALOX5 (0.47) ALDH1A1L3MBTL1CETP
SCHEMBL2034512 0.70 PPIB (0.51) ALDH1A1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL6393090 0.70 ALDH1A1 (0.53) RIPK1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11640091 0.70 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL17030320 0.70 MEN1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL10627501 0.70 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8316594 0.69 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL28663669 0.69 ALDH1A1 (0.51) GAAALOX12CYP2C19ALDH1A1SMN1; SMN2

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-119176820-A Tricyclic compounds as MAT2A inhibitors 艾立康药业股份有限公司 2024-12-24 CN disclosed