SCHEMBL7437018

SCHEMBL7437018

CCSc1ccc(C(C(N)=O)N2CCC(NCC(O)C3COc4ccc(C)cc4O3)CC2)cc1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.32
ALDH1A1 P00352 2/20 0.32
FFAR1 O14842 1/20 0.32
CA2 P00918 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 2/20 0.31
HTT P42858 2/20 0.31
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7440714 0.91 MAPT (0.37) TSHRALDH1A1NPC1POLBGAA
SCHEMBL7436565 0.86 ALDH1A1 (0.39) TSHRALDH1A1NPSR1
SCHEMBL10997571 0.86 FFAR1 (0.34) ALDH1A1FFAR1CA2RAB9A
SCHEMBL7446161 0.85 FFAR1 (0.34) ALDH1A1FFAR1CA2HTTGAA
SCHEMBL7443120 0.84 LMNA (0.41) TSHRALDH1A1NPC1RAB9AHTT
SCHEMBL7436237 0.84 TEAD1 (0.42) POLB
SCHEMBL7439952 0.83 CA2 (0.38) TSHRALDH1A1FFAR1CA2POLB
SCHEMBL7445139 0.83 MAPT (0.35) ALDH1A1NPC1NPSR1
SCHEMBL7434312 0.82 MAPT (0.38) TSHRALDH1A1NPC1POLBGAA
SCHEMBL7437024 0.81 LMNA (0.45) ALDH1A1NPC1RAB9APOLBHTT

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed