SCHEMBL8972595

SCHEMBL8972595

CCCCCCCCCCON1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
SCN1A P35498 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN2A Q99250 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SCN3A Q9NY46 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
USP2 O75604 1/20 0.40
THRB P10828 6/20 0.40
THRA P10827 1/20 0.40
RAB9A P51151 2/20 0.38

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
SCHEMBL30540107 1.00 LMNA (0.42) LMNASMN1; SMN2POLBMAPK1ALDH1A1
SCHEMBL5141114 0.98 SMN1; SMN2 (0.43) LMNASMN1; SMN2POLBMAPK1ALDH1A1
SCHEMBL4911938 0.92 LMNA (0.49) LMNASMN1; SMN2POLBMAPK1ALDH1A1
SCHEMBL4175721 0.85 THRB (0.40) ALDH1A1THRBMEN1KMT2ATSHR
SCHEMBL10378875 0.85 THRB (0.40) ALDH1A1THRBMEN1KMT2ATSHR
SCHEMBL8972630 0.85 THRB (0.40) ALDH1A1THRBMEN1KMT2ATSHR
SCHEMBL4912207 0.83 LMNA (0.39) LMNASMN1; SMN2POLBMAPK1ALDH1A1
SCHEMBL14759523 0.81 LTA4H (0.44) MAPK1ALDH1A1THRBTHRAMEN1
SCHEMBL9275922 0.81 LTA4H (0.44) MAPK1ALDH1A1THRBTHRAMEN1
SCHEMBL30800827 0.79 LTA4H (0.43) MAPK1THRBTHRAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268222-B1 Penetration enhancers for transdermal delivery of systemic agents RES TRIANGLE PHARM LTD (US) 1996-03-27 EP disclosed
EP-0582065-A1 1-Oxohydrocarbyl-substituted azacyclohexanes compositions used as acid catalyst WHITBY RESEARCH, Inc. (US) 1994-02-09 EP disclosed
EP-0280703-B1 COMPOSITIONS COMPRISING 1-ACYL-SUBSTITUTED MORPHOLINES, THIOMORPHOLINES AND PIPERAZINES AND THEIR USES WHITBY RESEARCH INC (US) 1993-12-29 EP disclosed
US-5073544-A Penetration promoters WHITBY, INC. (US) 1991-12-17 US disclosed
US-4917896-A PIPERAZINE, MORPHOLINE OR THIOMORPHOLINE DERIVATIVE NELSON RESEARCH & DEVELOPMENT CO. (US) 1990-04-17 US disclosed
EP-0268222-A2 Penetration enhancers for transdermal delivery of systemic agents RESEARCH TRIANGLE PHARMACEUTICALS LTD. (US) 1988-05-25 EP disclosed