SCHEMBL8830792

SCHEMBL8830792

COC(=O)C1(Cc2ccc(C(C)(C)C)cc2)CCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.43
TACR3 P29371 1/20 0.43
SLC6A2 P23975 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
EPHX2 P34913 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
DHODH Q02127 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 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
SCHEMBL8830873 0.86 NR1H4 (0.36) SLC6A2NPC1MEN1KMT2ANR1H4
SCHEMBL9253910 0.86 TACR3 (0.40) TACR1TACR3SLC6A2GPR119MEN1
SCHEMBL8830812 0.85 TACR1 (0.45) TACR1TACR3GPR119NPC1RAB9A
SCHEMBL2039023 0.84 TACR1 (0.44) TACR1TACR3SLC6A2MEN1KMT2A
SCHEMBL9168218 0.84 TACR1 (0.44) TACR1TACR3GPR119NPC1RAB9A
SCHEMBL22211342 0.84 TACR1 (0.44) TACR1TACR3GPR119NPC1RAB9A
SCHEMBL4809720 0.84 TACR1 (0.55) TACR1TACR3GPR119SMN1; SMN2MAPT
SCHEMBL26679406 0.83 TACR3 (0.57) TACR1TACR3GPR119MAPTALDH1A1
SCHEMBL9250830 0.82 CYP2C9 (0.33) TACR1TACR3SLC6A2NPC1RAB9A
SCHEMBL8830633 0.82 TACR1 (0.51) TACR1TACR3SLC6A2GPR119NPC1

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-5681979-A Process for the producing of alkylcyclopentanone derivatives KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-10-28 US disclosed
EP-0731083-A1 Process for the producing of alkylcyclopentanone derivatives KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-09-11 EP disclosed