SCHEMBL11536017

SCHEMBL11536017

O=CC[C@@H]1C(COCc2ccccc2)CC[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
SCN9A Q15858 2/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
AGTR2 P50052 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
GBA1 P04062 2/20 0.34
UGCG Q16739 2/20 0.34
GBA2 Q9HCG7 2/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL11033186 1.00 LMNA (0.37) LMNATSHRSCN9ACTSLCTSB
SCHEMBL11033190 1.00 LMNA (0.37) LMNATSHRSCN9ACTSLCTSB
SCHEMBL11536019 1.00 LMNA (0.37) LMNATSHRSCN9ACTSLCTSB
SCHEMBL11033184 1.00 LMNA (0.37) LMNATSHRSCN9ACTSLCTSB
SCHEMBL11537312 0.85 SCN9A (0.40) LMNATSHRSCN9ACTSLCTSB
SCHEMBL11537305 0.85 SCN9A (0.40) LMNATSHRSCN9ACTSLCTSB
SCHEMBL11537309 0.85 SCN9A (0.40) LMNATSHRSCN9ACTSLCTSB
SCHEMBL24007625 0.81 TSHR (0.48) LMNATSHRSCN9ACTSLCTSB
SCHEMBL24815520 0.81 TSHR (0.48) LMNATSHRSCN9ACTSLCTSB
SCHEMBL26024052 0.81 TSHR (0.48) LMNATSHRSCN9ACTSLCTSB

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-4154949-A HYPOTENSIVE AGENTS PFIZER INC. (US) 1979-05-15 US disclosed