SCHEMBL691605

SCHEMBL691605

C#CC1=C(c2ccc(C(=O)O)cc2)C(=O)N=N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA3 P07451 1/20 0.38
TYR P14679 1/20 0.38
DRD1 P21728 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
ESR2 Q92731 1/20 0.38
TPMT P51580 1/20 0.37
EGFR P00533 1/20 0.37

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
SCHEMBL692332 0.76 TSHR (0.44) TP53TSHRCA12CA1CA2
SCHEMBL695537 0.75 RXRA (0.46) TP53TSHRBCL2L1BADTPMT
SCHEMBL693187 0.68 RXRA (0.46) TP53TSHRBCL2L1BADMKNK1
SCHEMBL2637326 0.65 TSHR (0.80) TP53TSHRCA12CA1CA2
SCHEMBL69873 0.65 TSHR (0.80) TP53TSHRCA12CA1CA2
SCHEMBL14018385 0.65 TSHR (0.80) TP53TSHRCA12CA1CA2
Terephthalic Acid SCHEMBL9577834 0.65 TSHR (0.80) TP53TSHRCA12CA1CA2
Terephthalic Acid SCHEMBL3163866 0.65 TSHR (0.92) TP53TSHRCA12CA1CA2
Terephthalic Acid SCHEMBL28655741 0.65 TSHR (0.92) TP53TSHRCA12CA1CA2
SCHEMBL40299 0.64 TSHR (0.60) TP53TSHRCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421501-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP claimed
WO-2010123863-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO claimed
EP-2421501-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP disclosed
WO-2010123863-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO disclosed