SCHEMBL10355659

SCHEMBL10355659

CCCCCC[C@H]1CC[C@H](c2ccc(C(=O)CCCC)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.42
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 2/20 0.40
CYP2C9 P11712 2/20 0.40
HTR7 P34969 1/20 0.40
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 1/20 0.38
S1PR5 Q9H228 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 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
SCHEMBL10355660 1.00 HSD17B3 (0.42) HSD17B3HRH2HRH1MAPTGAA
SCHEMBL29317443 0.90 HSD17B3 (0.49) HSD17B3HRH2HRH1HTR7MEN1
SCHEMBL10355648 0.81 KMT2A (0.41) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL10355646 0.81 KMT2A (0.41) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL10355467 0.80 MAPT (0.42) MAPTGAACYP2C9PTGS1PTGS2
SCHEMBL10355466 0.80 MAPT (0.42) MAPTGAACYP2C9PTGS1PTGS2
SCHEMBL10460863 0.78 MAPT (0.43) MAPTGAACYP2C9ALDH1A1LMNA
SCHEMBL9805447 0.78 GAA (0.43) MAPTGAACYP2C9ALDH1A1MEN1
SCHEMBL10460862 0.78 MAPT (0.43) MAPTGAACYP2C9ALDH1A1LMNA
SCHEMBL9805435 0.78 GAA (0.43) MAPTGAACYP2C9ALDH1A1MEN1

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-0194153-B1 PYRIDINE DERIVATIVES Chisso Corporation (JP) 1990-10-31 EP disclosed
US-4684477-A LOW VISCOSITY, LOW VOLTAGE CHISSO CORPORATION (JP) 1987-08-04 US disclosed
EP-0194153-A2 Pyridine derivatives Chisso Corporation (JP) 1986-09-10 EP disclosed