SCHEMBL4753146

SCHEMBL4753146

CC1(C)Cc2cc(Cl)cc(OCC3CO3)c2O1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
FFAR4 Q5NUL3 10/20 0.40
ALDH1A1 P00352 3/20 0.39
GLA P06280 1/20 0.39
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
NPC1 O15118 1/20 0.34
KMT2A Q03164 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
SCHEMBL4750821 0.84 ALDH1A1 (0.39) HTR2AALDH1A1GLATP53CYP3A4
SCHEMBL18649397 0.82 HTR2A (0.49) HTR2AFFAR4ALDH1A1KMT2A
SCHEMBL6734151 0.80 ALDH1A1 (0.40) ALDH1A1GLASMN1; SMN2NPC1KMT2A
SCHEMBL4752959 0.80 HTR2A (0.47) HTR2AFFAR4ALDH1A1NPC1
SCHEMBL4753140 0.79 ALDH1A1 (0.36) HTR2AALDH1A1GLANPC1KMT2A
SCHEMBL6311312 0.78 ALDH1A1 (0.55) ALDH1A1GLASMN1; SMN2NPC1KMT2A
SCHEMBL17523384 0.78 HTR2A (0.49) HTR2AFFAR4ALDH1A1KMT2A
SCHEMBL6311316 0.78 ALDH1A1 (0.55) ALDH1A1GLASMN1; SMN2NPC1KMT2A
SCHEMBL16111361 0.73 FFAR4 (0.47) HTR2AFFAR4ALDH1A1TSHRKMT2A
SCHEMBL18768202 0.72 HTR2A (0.52) HTR2AFFAR4

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
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed