SCHEMBL5089424

SCHEMBL5089424

CCC(CO)NC(=O)C(C)S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.46
LMNA P02545 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
CNR1 P21554 1/20 0.41
ADRA1A P35348 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGS2 P35354 1/20 0.41
ABCC3 O15438 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MME P08473 4/20 0.39
CPA1 P15085 3/20 0.39
ACE2 Q9BYF1 3/20 0.39
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36

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
SCHEMBL825584 0.83 TDP1 (0.44) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL13097700 0.81 CYP3A4 (0.46) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL26709641 0.81 CYP3A4 (0.46) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL16817027 0.81 LMNA (0.43) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL14391478 0.79 PAX8 (0.46) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL15468317 0.76 LMNA (0.39) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL7804222 0.76 TDP1 (0.35) ACELMNATDP1CNR1ADRA1A
SCHEMBL19722743 0.76
SCHEMBL19736327 0.76 ACE (0.50) ACELMNATDP1CNR1MAPT
SCHEMBL20733281 0.76 ACE (0.50) ACELMNATDP1CNR1MAPT

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-7341715-B2 Method and agents on the basis of 2-mercaptopropionic acid amides for durable hair forming and a method for producing same WELLA AG (DE) 2008-03-11 US disclosed
EP-1198219-B1 METHOD AND AGENTS ON THE BASIS OF 2-MERCAPTOPROPIONIC ACID AMIDES FOR DURABLE HAIR FORMING AND A METHOD FOR PRODUCING SAME WELLA AG (DE) 2005-05-18 EP disclosed
EP-1198219-A2 METHOD AND AGENTS ON THE BASIS OF 2-MERCAPTOPROPIONIC ACID AMIDES FOR DURABLE HAIR FORMING AND A METHOD FOR PRODUCING SAME Wella Aktiengesellschaft (DE) 2002-04-24 EP disclosed
WO-2001074318-A2 METHOD AND AGENTS ON THE BASIS OF 2-MERCAPTOPROPIONIC ACID AMIDES FOR DURABLE HAIR FORMING AND A METHOD FOR PRODUCING SAME WELLA AKTIENGESELLSCHAFT (DE) 2001-10-11 WO disclosed