SCHEMBL3684989

SCHEMBL3684989

[CH2]COCc1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.57
HSPA5 P11021 1/20 0.50
KEAP1 Q14145 1/20 0.45
TSHR P16473 2/20 0.45
CYP2D6 P10635 1/20 0.45
HIF1A Q16665 1/20 0.45
TAAR1 Q96RJ0 1/20 0.43
AKR1B1 P15121 1/20 0.43
CA12 O43570 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 4/20 0.41
MPO P05164 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL126999 0.86 IDO1 (0.67) IDO1HSPA5KEAP1TSHRCYP2D6
SCHEMBL29647676 0.78 IDO1 (0.57) IDO1HSPA5KEAP1TSHRCYP2D6
SCHEMBL6535148 0.78 IDO1 (0.57) IDO1HSPA5KEAP1TSHRCYP2D6
SCHEMBL1245021 0.78 IDO1 (0.57) IDO1HSPA5KEAP1TSHRCYP2D6
SCHEMBL7748871 0.78 IDO1 (0.52) IDO1HSPA5KEAP1TSHRCYP2D6
SCHEMBL1840532 0.77 TSHR (0.62) IDO1HSPA5KEAP1TSHRCYP2D6
SCHEMBL4578929 0.76 IDO1 (0.50) IDO1HSPA5KEAP1TSHRCYP2D6
SCHEMBL1840002 0.75 IDO1 (0.53) IDO1HSPA5KEAP1TSHRCYP2D6
SCHEMBL11644882 0.75 IDO1 (0.53) IDO1HSPA5KEAP1TSHRCYP2D6
SCHEMBL7101247 0.75 IDO1 (0.64) IDO1HSPA5KEAP1TSHRCYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329065-B2 Carbon nanotube-containing composition, composite, and methods for producing them MITSUBISHI RAYON CO., LTD. (JP) 2012-12-11 US disclosed
US-20100065788-A1 CARBON NANOTUBE-CONTAINING COMPOSITION, COMPOSITE, AND METHODS FOR PRODUCING THEM MITSUBISHI RAYON CO., LTD. (JP) 2010-03-18 US disclosed