SCHEMBL8019682

SCHEMBL8019682

[CH2]CCC(c1cccc2ccccc12)(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.39
ALDH1A1 P00352 4/20 0.37
CYP2A6 P11509 3/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 5/20 0.35
HPGD P15428 2/20 0.35
CYP3A4 P08684 1/20 0.35
KEAP1 Q14145 1/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2C9 P11712 2/20 0.35
HPRT1 P00492 1/20 0.34
KIF11 P52732 1/20 0.34
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL17288739 0.81 KDM4E (0.37) ACP3ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL28039335 0.78 ALDH1A1 (0.35) ACP3ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL28039082 0.77 ALDH1A1 (0.34) ACP3ALDH1A1CYP2A6CYP1A2HPGD
SCHEMBL20483733 0.76 ACP3 (0.36) ACP3ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL5013836 0.75 CYP2C19 (0.39) ACP3ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL28039062 0.74 ALDH1A1 (0.35) ACP3ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL3786885 0.74 ACP3 (0.36) ACP3ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL17288442 0.74 KDM4E (0.36) ACP3ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL28039356 0.74 HTR1B (0.35) HPGDKDM4EKMT2A
SCHEMBL27684715 0.73 KIF11 (0.39) ACP3ALDH1A1TSHRHSD17B10CYP1A2

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-6165686-A Photocurable composition and color reversion preventing method SHOWA DENKO K.K. (JP) 2000-12-26 US disclosed