SCHEMBL6139215

SCHEMBL6139215

CCCCCCCCC1CCCC(CCCCCCCC)C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.56
EPHX1 P07099 3/20 0.45
ALDH1A1 P00352 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
LSS P48449 2/20 0.41
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
ALOX5 P09917 1/20 0.38
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 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
SCHEMBL28192642 1.00 CYP1A2 (0.56) CYP1A2EPHX1ALDH1A1SIGMAR1LSS
SCHEMBL30497000 1.00 CYP1A2 (0.56) CYP1A2EPHX1ALDH1A1SIGMAR1LSS
SCHEMBL11665042 1.00 CYP1A2 (0.56) CYP1A2EPHX1ALDH1A1SIGMAR1LSS
SCHEMBL28382741 1.00 CYP1A2 (0.56) CYP1A2EPHX1ALDH1A1SIGMAR1LSS
SCHEMBL10970232 1.00 CYP1A2 (0.56) CYP1A2EPHX1ALDH1A1SIGMAR1LSS
SCHEMBL28192604 0.98 CYP1A2 (0.60) CYP1A2EPHX1ALDH1A1SIGMAR1LSS
SCHEMBL11125856 0.98 CYP1A2 (0.54) CYP1A2EPHX1ALDH1A1SIGMAR1LSS
SCHEMBL11667186 0.98 CYP1A2 (0.58) CYP1A2EPHX1ALDH1A1SIGMAR1LSS
SCHEMBL27969263 0.94 CYP1A2 (0.50) CYP1A2EPHX1ALDH1A1SIGMAR1LSS
SCHEMBL7769924 0.93 CYP1A2 (0.65) CYP1A2EPHX1ALDH1A1SIGMAR1LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244420-B1 HAIR AND SKIN CARE AGENTS HENKEL KGAA (DE) 2005-02-16 EP disclosed
US-6620409-B2 A combination of dialkyl carbonate of the formula R1OC(O) OR2, wherein R1 and R2 independently of one another are a linear or branched c6-c12 alkyl group and an aminoalkyl amide of formula R3CONH(CH2)n-NR4R5; hair and skin care formulation HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-09-16 US disclosed
US-20020182164-A1 Hair and skin care agents HENKEL AG & CO. KGAA (DE) 2002-12-05 US disclosed
EP-1244420-A1 HAIR AND SKIN CARE AGENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-10-02 EP disclosed
WO-2001047626-A1 DYED CHITOSAN CAPSULES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-07-05 WO disclosed
WO-2001047625-A1 PIGMENTED CHITOSAN CAPSULES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-07-05 WO disclosed
WO-2001047624-A1 MULTI-PHASE AQUEOUS PREPARATIONS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-07-05 WO disclosed
WO-2001047480-A1 HAIR AND SKIN CARE AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-07-05 WO disclosed
US-5965155-A Transdermal therapeutic system with pentylene tetrazol as active substance LTS LOHMANN THERAPIE-SYSTEME GMBH & CO. (DE) 1999-10-12 US disclosed
EP-0659079-B1 TRANSDERMAL THERAPEUTIC SYSTEM WITH PENTYLENE TETRAZOL AS ACTIVE SUBSTANCE LOHMANN THERAPIE SYST LTS (DE) 1997-01-22 EP disclosed
WO-1992001508-A1 OIL-IN-WATER EMULSIONS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1992-02-06 WO disclosed