SCHEMBL9734639

SCHEMBL9734639

CCCC(CC)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.47
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ANPEP P15144 2/20 0.39
ERAP1 Q9NZ08 2/20 0.39
ERAP2 Q6P179 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
SCHEMBL8100431 0.94 TP53 (0.46) SIGMAR1TP53TSHRPOLBALDH1A1
SCHEMBL8095896 0.91 SIGMAR1 (0.46) SIGMAR1TP53TSHRPOLBALDH1A1
SCHEMBL9426583 0.89 TP53 (0.46) SIGMAR1TP53TSHRPOLBALDH1A1
SCHEMBL18685979 0.86 TDP1 (0.52) TSHRHPGDANPEPERAP1ERAP2
SCHEMBL22099432 0.86 TSHR (0.41) SIGMAR1TSHRALDH1A1
SCHEMBL18863925 0.84 TSHR (0.39) SIGMAR1TP53TSHRPOLBALDH1A1
SCHEMBL13765586 0.84 TDP1 (0.45) SIGMAR1TSHRPOLBHPGDANPEP
SCHEMBL18863923 0.84 SIGMAR1 (0.41) SIGMAR1TP53TSHRPOLBANPEP
SCHEMBL28294365 0.82 TSHR (0.41) SIGMAR1TSHRPOLBALDH1A1ERAP1
SCHEMBL20553745 0.82 HTR2A (0.46) ALDH1A1ANPEPERAP1ERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233450-B1 LINEAR SALICYLIC ACID COPOLYMERS AND THEIR METAL SALTS, PRODUCTION PROCESS THEREOF, COLOR-DEVELOPING AGENTS COMPRISING METAL-RESINS OF THE COPOLYMERS, AND COLOR-DEVELOPING SHEETS EMPLOYING THE AGENTS MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-03-11 EP disclosed
US-4783521-A Linear salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal-resins of the copolymers MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-11-08 US disclosed
EP-0233450-A2 Linear salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal-resins of the copolymers, and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-08-26 EP disclosed