SCHEMBL20032530

SCHEMBL20032530

CCCc1cc(C)nc(CC(CCC)NCC(=O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.34
TAS1R1 Q7RTX1 5/20 0.34
SIGMAR1 Q99720 2/20 0.33
SORT1 Q99523 1/20 0.32
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL19214757 0.89 SIGMAR1 (0.33) TAS1R3TAS1R1SIGMAR1
SCHEMBL20032532 0.78 NOS2 (0.35)
SCHEMBL20032533 0.74 LNPEP (0.36) TAS1R3TAS1R1KDM4E
SCHEMBL20032534 0.73 TSHR (0.39) KMT2A
SCHEMBL20682492 0.72 TAS1R3 (0.36) TAS1R3TAS1R1SIGMAR1
SCHEMBL19214736 0.72 SIGMAR1 (0.35) SIGMAR1KDM4E
SCHEMBL19214754 0.71 NOS2 (0.38) KDM4EKMT2A
SCHEMBL20661538 0.70 SMN1; SMN2 (0.41) KDM4EKMT2A
SCHEMBL16548415 0.68 NOS2 (0.47) KDM4E
SCHEMBL20032069 0.67 TRPV3 (0.36) SIGMAR1SORT1

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-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed