SCHEMBL6930801

SCHEMBL6930801

O=C(Nc1ccc(F)c([Ti])c1F)c1ccccc1CC1CCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
PKM P14618 1/20 0.40
HPGD P15428 4/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 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
SCHEMBL482929 0.79 KMT2A (0.41) CYP3A4CYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL3330917 0.71 PARP1 (0.50) CYP3A4CYP2C9CYP2C19ALDH1A1NPC1
SCHEMBL30937791 0.71 PARP1 (0.50) CYP3A4CYP2C9CYP2C19ALDH1A1NPC1
SCHEMBL6847222 0.70 HPGD (0.58) CYP2C19CYP1A2ALDH1A1NPC1RAB9A
SCHEMBL18280144 0.70 HPGD (0.47) CYP3A4CYP2C9CYP2C19ALDH1A1PKM
SCHEMBL26610936 0.69 HPGD (0.53) CYP3A4CYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL30839564 0.68 PARP1 (0.46) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL27468722 0.67 HDAC1 (0.55) NPC1RAB9AMAPTPOLBKMT2A
SCHEMBL6681025 0.66 HPGD (0.49) ALDH1A1RAB9AHPGDKDM4EHSD17B10
SCHEMBL6930803 0.65 ALDH1A1 (0.47) ALDH1A1MAPTLMNAKMT2AMEN1

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
US-20030207204-A1 Photopolymerizable composition FUJI PHOTO FILM CO., LTD. 2003-11-06 US disclosed