SCHEMBL5862662

SCHEMBL5862662

N=C(NCCCCCC(=O)O)S(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.57
ADRA1A P35348 1/20 0.53
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PLA2G2A P14555 1/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
EPHX2 P34913 6/20 0.41
ALDH1A1 P00352 1/20 0.41
EPHX1 P07099 1/20 0.41
PLA2G4A P47712 1/20 0.41

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
SCHEMBL5862489 0.92 PRMT1 (0.45) PRMT1ADRA1AMAPK1CYP1A2CYP2C9
SCHEMBL5862617 0.84 ECE1 (0.42) PRMT1ADRA1APLA2G2ALMNA
SCHEMBL5840597 0.76 PRMT1 (0.65) PRMT1ADRA1AMAPK1CYP1A2CYP2C9
SCHEMBL5536342 0.75 PRMT1 (0.63) PRMT1ADRA1AMAPK1CYP1A2PLA2G2A
SCHEMBL5535532 0.75 PRMT1 (0.63) PRMT1ADRA1AMAPK1CYP1A2PLA2G2A
SCHEMBL24783899 0.75 ADRA1A (0.70) PRMT1ADRA1AMAPK1PLA2G2ALMNA
SCHEMBL5531367 0.75 PRMT1 (0.63) PRMT1ADRA1AMAPK1CYP1A2PLA2G2A
SCHEMBL5538332 0.75 PRMT1 (0.63) PRMT1ADRA1AMAPK1CYP1A2PLA2G2A
SCHEMBL5533492 0.75 PRMT1 (0.63) PRMT1ADRA1AMAPK1CYP1A2PLA2G2A
SCHEMBL5535128 0.75 PRMT1 (0.63) PRMT1ADRA1AMAPK1CYP1A2PLA2G2A

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
US-7070770-B1 Compositions for the permanent deformation of the hair comprising at least one formamidinesulphinic acid derivative L'OREAL S.A. (FR) 2006-07-04 US claimed
US-7070770-B1 Compositions for the permanent deformation of the hair comprising at least one formamidinesulphinic acid derivative L'OREAL S.A. (FR) 2006-07-04 US disclosed
EP-1349534-A2 COMPOSITION FOR THE PERMANENT DEFORMATION OF THE HAIR COMPRISING AT LEAST ONE FORMAMIDINESULPHINIC ACID DERIVATIVE l'Oreal SA (FR) 2003-10-08 EP disclosed
WO-2002039965-A2 COMPOSITION FOR THE PERMANENT DEFORMATION OF THE HAIR COMPRISING AT LEAST ONE FORMAMIDINESULPHINIC ACID DERIVATIVE L'OREAL SA (FR) 2002-05-23 WO disclosed