SCHEMBL7906796

SCHEMBL7906796

C=CC(=O)OCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL16178607 0.87 TSHR (0.36) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL31127935 0.87 TSHR (0.36) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL17891351 0.87 TSHR (0.36) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL1930958 0.87 TSHR (0.36) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL301354 0.85 TSHR (0.37) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL3189947 0.84 TSHR (0.38) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL9871556 0.80 TSHR (0.41) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL14066255 0.78 TSHR (0.42) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL13198515 0.78 TSHR (0.35) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL7906779 0.77 TSHR (0.44) TSHRALDH1A1HPGDTP53HIF1A

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-6221988-B1 NONAQUEOUS PROTECTIVE COATINGS ROEHM GMBH CHEMISCHE FABRIK (DE) 2001-04-24 US disclosed