SCHEMBL29176558

SCHEMBL29176558

CC(C)(C)OC(=O)N1CCCCC1c1noc(CCCc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 15/20 0.46
CPT2 P23786 7/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CPT1B Q92523 2/20 0.43
FKBP1A P62942 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL29176556 1.00 CPT1A (0.46) CPT1ACPT2MEN1KMT2ACPT1B
SCHEMBL29176498 0.94 CPT1A (0.47) CPT1ACPT2MEN1KMT2ACPT1B
SCHEMBL29176499 0.94 CPT1A (0.47) CPT1ACPT2MEN1KMT2ACPT1B
SCHEMBL27230115 0.87 CPT1A (0.48) CPT1ACPT2MEN1KMT2ACPT1B
SCHEMBL6463093 0.84 ALDH1A1 (0.42) CPT1ACPT2MEN1KMT2ACPT1B
SCHEMBL30147182 0.83 EPHA2 (0.46) CPT1ACPT2MEN1KMT2ACPT1B
SCHEMBL29176487 0.82 TSHR (0.54) MEN1KMT2ANPC1RAB9A
SCHEMBL29176486 0.82 TSHR (0.54) MEN1KMT2ANPC1RAB9A
SCHEMBL6333012 0.81 ALDH1A1 (0.45) CPT1AMEN1KMT2A
SCHEMBL27230456 0.81 CPT1A (0.50) CPT1ACPT2MEN1KMT2ACPT1B

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-117730079-A Heterocyclyl-substituted polyheterazoles derivatives as medicaments for the treatment and/or prophylaxis of RSV infections 亚博思生物科技(第一)有限公司 2024-03-19 CN disclosed