SCHEMBL28005127

SCHEMBL28005127

COC(Cl)(Cc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
KIF11 P52732 2/20 0.37
KCNA5 P22460 1/20 0.36
CYP3A4 P08684 1/20 0.36
RECQL P46063 1/20 0.36
MAPK1 P28482 1/20 0.35
LTA4H P09960 1/20 0.35
TRPA1 O75762 1/20 0.35
CES1 P23141 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL7524621 0.79 TSHR (0.42) TAAR1CYP1A2LMNATSHRMAPK1
SCHEMBL29044270 0.78 TSHR (0.41) TAAR1CYP1A2LMNATSHRMAPK1
SCHEMBL10513528 0.77 SLC6A2 (0.46) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL1505807 0.75 CYP1A2 (0.48) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL765190 0.75 CYP1A2 (0.48) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL28041401 0.74 EBP (0.40) SMN1; SMN2MAPK1
SCHEMBL6557133 0.73 CES1 (0.44) CYP1A2CYP2C19CYP2D6TSHRSMN1; SMN2
SCHEMBL25407758 0.72 TAAR1 (0.58) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL15225151 0.72 SLC6A2 (0.52) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL10936747 0.72 SLC6A2 (0.52) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104418717-B A kind of preparation method of P-methoxybenzal-dehyde 宿迁科思化学有限公司 2016-07-13 CN disclosed
CN-104418717-A Preparation method of p-anisaldehyde SUQIAN KESI CHEM CO LTD 2015-03-18 CN disclosed