SCHEMBL7477416

SCHEMBL7477416

CCCCCCCCCCCCCCCCCCN1CCCCC1CCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.47
S1PR3 Q99500 3/20 0.47
S1PR5 Q9H228 3/20 0.47
S1PR4 O95977 1/20 0.47
CASP3 P42574 2/20 0.43
CASP7 P55210 2/20 0.43
SPHK1 Q9NYA1 3/20 0.42
SPHK2 Q9NRA0 2/20 0.41
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 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
SCHEMBL7474734 0.86 CASP3 (0.41) CASP3CASP7SPHK1DRD2DRD1
SCHEMBL27031271 0.81 HTR6 (0.47) CASP3CASP7DRD2DRD1DRD4
SCHEMBL7481690 0.81 NPC1 (0.47) CYP2D6
SCHEMBL7477251 0.81 FKBP1A (0.42) CASP3CASP7
SCHEMBL31719332 0.79 HTR6 (0.48) CASP3CASP7DRD2DRD1DRD4
SCHEMBL7476087 0.78 MMP1 (0.39) CASP3CASP7
SCHEMBL12611406 0.78 ATM (0.45) CASP3CASP7DRD2DRD1DRD4
SCHEMBL27031270 0.75 ALDH1A1 (0.44) CASP3CASP7CYP2D6
SCHEMBL10725263 0.74 RECQL (0.50) CYP3A4
SCHEMBL4193998 0.74 RECQL (0.50) CYP3A4

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 4 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
CN-1231286-A 1,2-Di-substituted piperidine derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO LTD (JP) 1999-10-13 CN disclosed
EP-0933361-A1 1,2-Di-substituted piperidine derivatives as hair growth promoter SHISEIDO COMPANY LIMITED (JP) 1999-08-04 EP disclosed