SCHEMBL7477251

SCHEMBL7477251

CCCCCCCCCCCCCCCCCCOC(=O)N1CCCCC1CCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.42
ALDH1A1 P00352 5/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PLA2G2C Q5R387 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
SCHEMBL9068477 0.89 ALDH1A1 (0.48) ALDH1A1TP53ALOX15MAPK1NPSR1
SCHEMBL9068282 0.89 ALDH1A1 (0.48) ALDH1A1TP53ALOX15MAPK1NPSR1
SCHEMBL7485723 0.87 FKBP1A (0.40) FKBP1AALDH1A1TP53ALOX15MAPK1
SCHEMBL7481690 0.87 NPC1 (0.47) TP53MAPT
SCHEMBL18497662 0.87 LMNA (0.44) FKBP1AALDH1A1TP53ALOX15MAPK1
SCHEMBL9068328 0.86 ALDH1A1 (0.46) ALDH1A1TP53ALOX15MAPK1NPSR1
SCHEMBL7476087 0.84 MMP1 (0.39) FKBP1AALDH1A1LMNACASP3CASP7
SCHEMBL27031270 0.82 ALDH1A1 (0.44) FKBP1AALDH1A1CASP3CASP7POLB
SCHEMBL8702996 0.82 LMNA (0.44) ALDH1A1NPSR1L3MBTL1LMNAPOLB
SCHEMBL7477416 0.81 S1PR1 (0.47) CASP3CASP7

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