SCHEMBL11428702

SCHEMBL11428702

CCc1cc(CC)c(N(S)C(=O)NC2CC3CCC2C3)c(CC)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.40
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EPHX2 P34913 5/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX1 P07099 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
SCHEMBL11416577 0.91 PANK3 (0.37) PANK3HPGDSMN1; SMN2MAPTCYP3A4
SCHEMBL11426399 0.87 MEN1 (0.38) PANK3HPGDSMN1; SMN2MAPTCYP3A4
SCHEMBL11416109 0.80 SMYD3 (0.39) SMN1; SMN2MAPTMEN1RAB9AKMT2A
SCHEMBL11421496 0.78 NPC1 (0.44) HPGDSMN1; SMN2MAPTALDH1A1TAS1R3
SCHEMBL11428620 0.77 NPC1 (0.46) HPGDSMN1; SMN2MAPTALDH1A1TAS1R3
SCHEMBL11414719 0.77 NPC1 (0.46) HPGDSMN1; SMN2MAPTALDH1A1TAS1R3
SCHEMBL11414466 0.76 HSD17B10 (0.44) PANK3HPGDSMN1; SMN2MAPTCYP3A4
SCHEMBL11424750 0.73 HTR1A (0.32)
SCHEMBL11417143 0.73 TAS1R3 (0.43) SMN1; SMN2TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL11414821 0.72 KMT2A (0.43) SMN1; SMN2ALDH1A1EPHX2HTTMEN1

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-4194008-A INSECTICIDE, FUNGICIDE, MITICIDE, PARASITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-03-18 US disclosed