SCHEMBL9715701

SCHEMBL9715701

Oc1ccccc1C=CC(C(F)(F)F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.47
NFKB1 P19838 2/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
JUN P05412 1/20 0.46
NFE2L2 Q16236 1/20 0.46
CA2 P00918 3/20 0.44
CA1 P00915 1/20 0.44
CA4 P22748 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
BCHE P06276 1/20 0.41
GUSB P08236 1/20 0.41
APP P05067 2/20 0.39
ECE2 P0DPD6 2/20 0.38
CHRNA7 P36544 2/20 0.38
ABL1 P00519 1/20 0.38
ABCB1 P08183 1/20 0.38

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
SCHEMBL21166609 0.74 TRPA1 (0.52) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL108389 0.73 TRPA1 (0.76) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL717976 0.73 TRPA1 (0.76) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL7174983 0.73 TRPA1 (0.43) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL6741729 0.71 MAOB (0.44) TRPA1NFE2L2CA1MAPTLMNA
SCHEMBL7027842 0.70 TRPA1 (0.58) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL28268121 0.69 CDK4 (0.74) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL9328084 0.69 TRPA1 (0.68) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL15018017 0.69 ABL1 (0.49) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL501628 0.68 TRPA1 (0.46) TRPA1NFKB1CDK4CCND1JUN

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
EP-0360128-B1 COMPATIBLE POLYMER COMPOSITION RÖHM GMBH (DE) 1992-12-23 EP disclosed