SCHEMBL29200000

SCHEMBL29200000

CCCCCC=CNCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.50
TRPV1 Q8NER1 2/20 0.50
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.41
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
APEX1 P27695 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DUSP3 P51452 1/20 0.39
MMP2 P08253 1/20 0.39

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
SCHEMBL18689430 1.00 FAAH (0.50) FAAHTRPV1TSHRALDH1A1GMNN
SCHEMBL29151835 0.98 FAAH (0.54) FAAHTRPV1TSHRGMNNUSP2
SCHEMBL3119140 0.98 FAAH (0.54) FAAHTRPV1TSHRGMNNUSP2
SCHEMBL16617748 0.98 FAAH (0.54) FAAHTRPV1TSHRGMNNUSP2
SCHEMBL16617747 0.98 FAAH (0.54) FAAHTRPV1TSHRGMNNUSP2
SCHEMBL3119138 0.98 FAAH (0.54) FAAHTRPV1TSHRGMNNUSP2
Hydrochloric Acid SCHEMBL9060852 0.95 FAAH (0.52) FAAHTRPV1TSHRGMNNUSP2
SCHEMBL1485564 0.92
SCHEMBL1485565 0.92
SCHEMBL11745760 0.83 FAAH (0.54) FAAHTRPV1TSHRGMNNUSP2

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
CN-113166565-B Flash rust inhibitor 圣诺普科有限公司 2024-03-08 CN disclosed