SCHEMBL31364005

SCHEMBL31364005

CCCC(CCC)c1nccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
CYP2A6 P11509 1/20 0.47
MAPT P10636 3/20 0.44
HSD17B10 Q99714 1/20 0.44
PLAU P00749 2/20 0.43
F12 P00748 1/20 0.43
NCF1 P14598 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
BACE1 P56817 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NCOA3 Q9Y6Q9 1/20 0.40
CYP3A4 P08684 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
PLG P00747 1/20 0.37
UTS2R Q9UKP6 1/20 0.36

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
SCHEMBL31364053 0.94 LMNA (0.45) LMNACYP2A6MAPTHSD17B10PLAU
SCHEMBL29249921 0.93 LMNA (0.47) LMNACYP2A6MAPTHSD17B10PLAU
SCHEMBL29492646 0.86 LMNA (0.53) LMNACYP2A6MAPTHSD17B10PLAU
SCHEMBL11270418 0.86 LMNA (0.53) LMNACYP2A6MAPTHSD17B10PLAU
SCHEMBL29249917 0.85 LMNA (0.49) LMNACYP2A6MAPTHSD17B10PLAU
SCHEMBL31364017 0.84 LMNA (0.45) LMNACYP2A6MAPTHSD17B10PLAU
SCHEMBL8654349 0.83 LMNA (0.47) LMNACYP2A6MAPTHSD17B10PLAU
SCHEMBL31364124 0.83 LMNA (0.44) LMNACYP2A6MAPTHSD17B10PLAU
SCHEMBL29249930 0.79 LMNA (0.46) LMNACYP2A6MAPTHSD17B10PLAU
SCHEMBL10641955 0.79 LMNA (0.57) LMNACYP2A6MAPTHSD17B10PLAU

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-119638622-A Photocatalytic alkane C (sp)3) Method for activating H bond and constructing C-C bond with aza arene 中国科学院理化技术研究所 2025-03-18 CN disclosed