SCHEMBL6131190

SCHEMBL6131190

CCCCC(CC)CC1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 8/20 0.41
GNAI3 P08754 7/20 0.41
GNAI1 P63096 7/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 3/20 0.39
TSHR P16473 1/20 0.39
CPN1 P15169 1/20 0.35
CPB2 Q96IY4 1/20 0.35
CA2 P00918 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 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
SCHEMBL27718833 0.89 ALDH1A1 (0.38) GNAO1GNAI3GNAI1ALDH1A1TDP1
SCHEMBL22857491 0.89 GNAO1 (0.41) GNAO1GNAI3GNAI1ALDH1A1TDP1
SCHEMBL22430240 0.89 CPN1 (0.37) GNAO1GNAI3GNAI1CPN1CPB2
SCHEMBL22857493 0.87 GNAO1 (0.47) GNAO1GNAI3GNAI1CPN1CPB2
SCHEMBL27976955 0.84 CPN1 (0.41) GNAO1GNAI3GNAI1TDP1CPN1
SCHEMBL18922333 0.83 GNAO1 (0.41) GNAO1GNAI3GNAI1ALDH1A1TDP1
SCHEMBL20543381 0.82 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL5050660 0.81 CYP1A2 (0.48) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL3682678 0.78 ALDH1A1 (0.45) GNAO1GNAI3GNAI1ALDH1A1TDP1
SCHEMBL1825503 0.78 ALDH1A1 (0.41) ALDH1A1TDP1CYP3A4TSHRCA2

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-6875551-B2 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 2005-04-05 US disclosed
US-20040161694-A1 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. 2004-08-19 US disclosed