SCHEMBL19861633

SCHEMBL19861633

c1ccc2c(c1)OC(c1ccc3c(c1)SC(c1ccc4c(c1)OCN4)O3)O2

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL19492439 0.76 FAAH (0.32)
SCHEMBL21778945 0.75
SCHEMBL21233403 0.74
SCHEMBL19155331 0.73 FAAH (0.31)
SCHEMBL18391368 0.70
SCHEMBL20078814 0.68 HTT (0.42) LMNAMAPTMAPK1KDM4EALDH1A1
SCHEMBL18925131 0.68
SCHEMBL21787565 0.67 SLC5A2 (0.36) NISCHKDM4EALDH1A1HSD17B10
SCHEMBL20662320 0.65 NISCH (0.32) NISCHKDM4EALDH1A1HSD17B10
SCHEMBL19492664 0.64 HDAC4 (0.43) MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9889082-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-13 US disclosed