SCHEMBL14877974

SCHEMBL14877974

CC(=O)CC1CCC(C2CCC(C)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.33
P2RX7 Q99572 1/20 0.33
TLR4 O00206 2/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
EPHX1 P07099 1/20 0.31
NPC1 O15118 1/20 0.31
PREP P48147 1/20 0.31
LIPA P38571 1/20 0.31
AKR1C3 P42330 1/20 0.31

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
SCHEMBL10174290 0.93 NAMPT (0.36) NAMPTP2RX7TLR4ALDH1A1KDM4E
SCHEMBL14146038 0.85 EPHX1 (0.34) NAMPTP2RX7ALDH1A1EPHX1NPC1
SCHEMBL526891 0.83
SCHEMBL15043693 0.83 LIPA (0.38) NAMPTALDH1A1EPHX1LIPAAKR1C3
SCHEMBL14576723 0.83 LIPA (0.38) NAMPTALDH1A1EPHX1LIPAAKR1C3
SCHEMBL10851234 0.83 ANPEP (0.43) NAMPTP2RX7ALDH1A1KDM4EALOX15
SCHEMBL10952455 0.83 ANPEP (0.43) NAMPTP2RX7ALDH1A1KDM4EALOX15
SCHEMBL10952451 0.83 ANPEP (0.43) NAMPTP2RX7ALDH1A1KDM4EALOX15
SCHEMBL30656957 0.83 TLR4 (0.36) NAMPTTLR4ALDH1A1LIPAAKR1C3
SCHEMBL30656958 0.83 TLR4 (0.36) NAMPTTLR4ALDH1A1LIPAAKR1C3

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-8426626-B2 Compound having asymmetric carbon atom, oxidation-reduction reaction causing portion, and liquid crystal substituent FUJIFILM CORPORATION (JP) 2013-04-23 US disclosed