SCHEMBL11243875

SCHEMBL11243875

Nc1ccc(OCc2ccc(Cl)cn2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.50
S1PR4 O95977 4/20 0.45
MRGPRX4 Q96LA9 9/20 0.42
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
STAT3 P40763 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL23538130 0.79 SYK (0.45) SYKS1PR4MRGPRX4TSHRCYP1A2
SCHEMBL29638125 0.79 SYK (0.78) SYKHTR1ADRD2
SCHEMBL159323 0.79 SYK (0.78) SYKHTR1ADRD2
SCHEMBL27299219 0.78 TSHR (0.47) S1PR4MRGPRX4NPC1TP53MAPT
SCHEMBL21835275 0.78 SYK (0.52) SYKS1PR4MRGPRX4NPC1TP53
SCHEMBL29945002 0.78 SYK (0.52) SYKS1PR4MRGPRX4NPC1RAB9A
Ammonia Solution, Strong SCHEMBL23859934 0.78 SYK (0.76) SYKHTR1ADRD2
SCHEMBL2702047 0.78 SYK (0.52) SYKS1PR4MRGPRX4NPC1RAB9A
Hydrochloric Acid SCHEMBL6239858 0.78 SYK (0.76) SYKTP53SMN1; SMN2HTR1ADRD2
SCHEMBL29944991 0.78 SYK (0.52) SYKS1PR4MRGPRX4NPC1RAB9A

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-4332944-A Compositions and use ZOECON CORPORATION (US) 1982-06-01 US disclosed