SCHEMBL7479965

SCHEMBL7479965

Cc1ccc(S(=O)(=O)OCCC2CCCCN2C(=O)N(C)CCCN(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
ALDH1A1 P00352 3/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
FKBP1A P62942 5/20 0.36
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL7476087 0.91 MMP1 (0.39) POLBALDH1A1KCNH2HRH3CASP3
SCHEMBL7484236 0.87 NPC1 (0.44) POLBALDH1A1CASP3CASP7FKBP1A
SCHEMBL7477516 0.87 MAPT (0.45) ALDH1A1HRH3SMN1; SMN2
SCHEMBL7485723 0.86 FKBP1A (0.40) POLBALDH1A1CASP3CASP7FKBP1A
SCHEMBL27031270 0.81 ALDH1A1 (0.44) POLBALDH1A1CASP3CASP7FKBP1A
SCHEMBL7474734 0.81 CASP3 (0.41) CASP3CASP7CYP2D6CA12CA2
SCHEMBL9068282 0.77 ALDH1A1 (0.48) POLBALDH1A1CASP3CASP7CYP2D6
SCHEMBL9068477 0.77 ALDH1A1 (0.48) POLBALDH1A1CASP3CASP7CYP2D6
SCHEMBL8702996 0.77 LMNA (0.44) POLBALDH1A1
SCHEMBL7481690 0.77 NPC1 (0.47) CYP2D6

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-0933361-B1 1,2-Di-substituted piperidine derivatives as hair growth promoter SHISEIDO CO LTD (JP) 2002-03-27 EP disclosed
US-6057337-A USEFUL FOR CARE, IMPROVEMENT OR PREVENTION OF HAIR LOSS SHISEIDO CO., LTD. (JP) 2000-05-02 US disclosed
EP-0933361-A1 1,2-Di-substituted piperidine derivatives as hair growth promoter SHISEIDO COMPANY LIMITED (JP) 1999-08-04 EP disclosed