SCHEMBL11552122

SCHEMBL11552122

CC(C)(CO)C(O)C(=O)NCCSCCCN

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.59
KCNH2 Q12809 1/20 0.59
VNN1 O95497 13/20 0.43
TSHR P16473 1/20 0.36
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32

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
SCHEMBL17742153 0.85 PTGS1 (0.75) PTGS1KCNH2VNN1GNAI3GNAO1
SCHEMBL6683222 0.82 PTGS1 (0.58) PTGS1KCNH2VNN1TSHR
SCHEMBL6683218 0.82 PTGS1 (0.58) PTGS1KCNH2VNN1TSHR
SCHEMBL6465187 0.81 PTGS1 (0.69) PTGS1KCNH2VNN1
SCHEMBL7042139 0.81 PTGS1 (0.69) PTGS1KCNH2VNN1
SCHEMBL28669157 0.80 PTGS1 (0.67) PTGS1KCNH2VNN1TSHR
SCHEMBL7045827 0.78 PTGS1 (0.79) PTGS1KCNH2VNN1TSHR
SCHEMBL7044196 0.78 PTGS1 (0.79) PTGS1KCNH2VNN1TSHR
SCHEMBL7044200 0.78 PTGS1 (0.79) PTGS1KCNH2VNN1TSHR
SCHEMBL7044206 0.78 PTGS1 (0.79) PTGS1KCNH2VNN1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4151301-A ANTISECRETORY L'OREAL (FR) 1979-04-24 US disclosed
US-4002671-A REDUCE SEBUM SECRETION ON SCALP OR SKIN SOCIETE ANONYME DITE: L'OREAL (FR) 1977-01-11 US disclosed