SCHEMBL9838337

SCHEMBL9838337

C=Cc1ccc(C(C)CCCCCCCC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
SLC2A1 P11166 1/20 0.36
NR1I2 O75469 1/20 0.36
SPHK1 Q9NYA1 1/20 0.35
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
CSNK1E P49674 1/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
OPRM1 P35372 2/20 0.33
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL9717991 1.00 TAS1R3 (0.39) TAS1R3TAS1R1ALDH1A1CA1CA2
SCHEMBL9838748 1.00 TAS1R3 (0.39) TAS1R3TAS1R1ALDH1A1CA1CA2
SCHEMBL28901186 1.00 TAS1R3 (0.39) TAS1R3TAS1R1ALDH1A1CA1CA2
SCHEMBL9717972 0.98 TAS1R3 (0.40) TAS1R3TAS1R1ALDH1A1CA1CA2
SCHEMBL2778094 0.93 ALDH1A1 (0.41) TAS1R3TAS1R1ALDH1A1CA1CA2
SCHEMBL5024850 0.85 TAS1R3 (0.46) TAS1R3TAS1R1ALDH1A1LMNATSHR
SCHEMBL9861017 0.85 ALDH1A1 (0.45) TAS1R3TAS1R1ALDH1A1CA1CA2
SCHEMBL6684351 0.85 SLC2A1 (0.44) SLC2A1NR1I2SPHK1ADH1BADH1C
SCHEMBL9137197 0.85 SLC2A1 (0.44) SLC2A1NR1I2SPHK1ADH1BADH1C
SCHEMBL1140807 0.84 TAS1R3 (0.40) TAS1R3TAS1R1ALDH1A1CA1CA2

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
US-4990386-A Terpolymer of aromatic vinyl monomer, cyclohexylmaleimide, and acrylic compound SHOWA DENKO KABUSHIKI KAISHI (JP) 1991-02-05 US claimed
US-4990386-A Terpolymer of aromatic vinyl monomer, cyclohexylmaleimide, and acrylic compound SHOWA DENKO KABUSHIKI KAISHI (JP) 1991-02-05 US disclosed
EP-0390957-A1 Optical disk substrate SHOWA DENKO KABUSHIKI KAISHA (JP) 1990-10-10 EP disclosed