SCHEMBL22302371

SCHEMBL22302371

C=C(O)CCc1c[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ GAA P10253 1/20 0.59
▸ HTR2A P28223 3/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ HTR2C P28335 2/20 0.59
▸ MPO P05164 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2A6 P11509 1/20 0.59
▸ NFKB1 P19838 1/20 0.59
▸ HTR1D P28221 1/20 0.59
▸ HTR1B P28222 1/20 0.59
▸ HTR7 P34969 1/20 0.59
▸ CTSK P43235 1/20 0.59
▸ HTR6 P50406 1/20 0.59
▸ CYP2A13 Q16696 1/20 0.59
▸ TAAR1 Q96RJ0 1/20 0.59
▸ PMP22 Q01453 1/20 0.57
▸ PDPK1 O15530 1/20 0.57

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
SCHEMBL12691109 0.90 MEN1 (0.59) MAPTALDH1A1HTR2ACYP3A4HTR2C
SCHEMBL28447148 0.85 ALDH1A1 (0.57) MAPTALDH1A1GAAHTR2ACYP3A4
Indolylpropionic Acid SCHEMBL195405 0.83 MAPT (0.68) MAPTALDH1A1GAAHTR2ACYP3A4
Indolylpropionic Acid SCHEMBL29521227 0.83 MAPT (0.68) MAPTALDH1A1GAAHTR2ACYP3A4
Indolylpropionic Acid SCHEMBL29374161 0.83 MAPT (0.68) MAPTALDH1A1GAAHTR2ACYP3A4
SCHEMBL12691322 0.82 MEN1 (0.65) MAPTALDH1A1HTR2ACYP3A4HTR2C
Indolylpropionic Acid SCHEMBL2115660 0.81 MAPT (0.66) MAPTALDH1A1GAAHTR2ACYP3A4
Indolylpropionic Acid SCHEMBL29272702 0.81 MAPT (0.66) MAPTALDH1A1GAAHTR2ACYP3A4
SCHEMBL4985934 0.81 HTR2A (0.77) MAPTALDH1A1HTR2ACYP3A4HTR2C
SCHEMBL7270097 0.80 KMT2A (0.71) MAPTALDH1A1GAAHTR2ACYP3A4

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-2020155284-A1 DRUG FOR PREVENTION AND TREATMENT OF ISCHEMIC HEART DISEASE AND APPLICATION THEREFOR 百迈康生物医药科技(广州)有限公司 2020-08-06 — — WO disclosed
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