SCHEMBL8874347

SCHEMBL8874347

CCC(CNC(=O)Cc1c(C)cc(C)cc1C)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HPGD P15428 2/20 0.37
CDYL Q9Y232 1/20 0.37
ALDH1A1 P00352 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NLRP3 Q96P20 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAB9A P51151 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
P2RX7 Q99572 3/20 0.34

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
SCHEMBL4241666 0.76 HPGD (0.42) HPGDRXFP1P2RX7
SCHEMBL8874754 0.76 HPGD (0.36) HTTNPSR1HPGDALDH1A1P2RX7
SCHEMBL7960938 0.76 LPAR1 (0.40) HPGDALDH1A1RXFP1TAS1R3TAS1R1
SCHEMBL8873546 0.74 TAS1R3 (0.44) TAS1R3TAS1R1SMN1; SMN2
SCHEMBL8744784 0.74 SMN1; SMN2 (0.50) HTTNPSR1HPGDALDH1A1NLRP3
SCHEMBL7960616 0.73 HPGD (0.43) HPGDALDH1A1SMN1; SMN2
SCHEMBL8744837 0.72 TAS1R3 (0.49) HTTNPSR1HPGDALDH1A1TAS1R3
SCHEMBL9594891 0.72 TAS1R3 (0.49) HTTNPSR1HPGDALDH1A1TAS1R3
SCHEMBL9595368 0.71 LMNA (0.41) NLRP3SMN1; SMN2
SCHEMBL8744813 0.71 LMNA (0.41) NLRP3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5672718-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-09-30 US disclosed
US-5508436-A INTERMEDIATES FOR PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed