SCHEMBL8740464

SCHEMBL8740464

Cc1cc(C(C)[C]=O)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
S1PR1 P21453 6/20 0.39
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
KEAP1 Q14145 1/20 0.35
MCL1 Q07820 1/20 0.34
MAPK1 P28482 1/20 0.34
S1PR4 O95977 1/20 0.33
TSPO P30536 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GPR139 Q6DWJ6 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8897255 0.84 ALDH1A1 (0.45) AKR1C3AKR1C2MAPK1SLC6A3ALDH1A1
SCHEMBL11009286 0.83 AKR1C3 (0.36) AKR1C3AKR1C2S1PR1MEN1PKM
SCHEMBL1104688 0.77 LMNA (0.52) AKR1C3AKR1C2S1PR1MEN1PKM
SCHEMBL9865412 0.76 MDM2 (0.40) MEN1KMT2ASLC6A3LMNAKDM4E
SCHEMBL14401158 0.75 TRPV4 (0.46) AKR1C3AKR1C2S1PR1MEN1PKM
SCHEMBL13075535 0.74 ADRB2 (0.52) AKR1C3AKR1C2S1PR1MEN1PKM
SCHEMBL16953624 0.74 S1PR1 (0.41) AKR1C3AKR1C2S1PR1MEN1PKM
SCHEMBL17084122 0.74 S1PR1 (0.41) AKR1C3AKR1C2S1PR1MEN1PKM
SCHEMBL17084190 0.74 S1PR1 (0.41) AKR1C3AKR1C2S1PR1MEN1PKM
SCHEMBL8185537 0.74 ADRB2 (0.52) AKR1C3AKR1C2S1PR1MEN1PKM

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-0661986-A4 BRAIN-ENHANCED DELIVERY OF NEUROACTIVE PEPTIDES BY SEQUENTIAL METABOLISM. UNIV FLORIDA (US) 1997-04-23 EP disclosed
EP-0661986-A1 BRAIN-ENHANCED DELIVERY OF NEUROACTIVE PEPTIDES BY SEQUENTIAL METABOLISM UNIVERSITY OF FLORIDA (US) 1995-07-12 EP disclosed
WO-1994006450-A1 BRAIN-ENHANCED DELIVERY OF NEUROACTIVE PEPTIDES BY SEQUENTIAL METABOLISM UNIVERSTIY OF FLORIDA (US) 1994-03-31 WO disclosed