SCHEMBL1895680

SCHEMBL1895680

C=COC(=O)c1ccccc1CC(C)CCC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 5/20 0.36
TSHR P16473 5/20 0.36
CYP3A4 P08684 3/20 0.36
CA2 P00918 1/20 0.35
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
UTS2R Q9UKP6 1/20 0.34

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
SCHEMBL1897987 0.92 ALDH1A1 (0.42) KMT2AKDM4EALDH1A1TSHRCYP3A4
SCHEMBL1902146 0.89 ALDH1A1 (0.37) KMT2AALDH1A1TSHRCYP3A4CA2
SCHEMBL1901143 0.88 KMT2A (0.42) KMT2AKDM4EALDH1A1TSHRCYP3A4
SCHEMBL1897182 0.82 ALDH1A1 (0.40) KMT2AALDH1A1TSHRCYP3A4CA2
SCHEMBL1901579 0.81 ALDH1A1 (0.40) KMT2AALDH1A1TSHRCYP3A4CA2
SCHEMBL9251505 0.81 CYP3A4 (0.44) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL2578003 0.78 FOLH1 (0.50) KMT2AKDM4EALDH1A1TSHRCA2
SCHEMBL29644540 0.78 FOLH1 (0.50) KMT2AKDM4EALDH1A1TSHRCA2
SCHEMBL985791 0.77 THRA (0.48) KMT2AALDH1A1TSHRCYP3A4CA2
SCHEMBL8094464 0.77 ALDH1A1 (0.38) KMT2AKDM4EALDH1A1TSHRCYP3A4

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-20110101503-A1 HYPERBRANCHED POLYMER SYNTHESIZING METHOD, HYPERBRANCHED POLYMER, RESIST COMPOSITION, SEMICONDUCTOR INTEGRATED CIRCUIT, AND SEMICONDUCTOR INTEGRATED CIRCUIT FABRICATION METHOD LION CORPORATION (JP) 2011-05-05 US disclosed