SCHEMBL11370488

SCHEMBL11370488

OCc1[nH]ccc1Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
MPO P05164 1/20 0.34
TRPA1 O75762 2/20 0.33
IDO1 P14902 1/20 0.33
DAO P14920 1/20 0.33
LMNA P02545 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
DBH P09172 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PTGS1 P23219 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
RET P07949 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL11281110 0.82 HRH3 (0.39) IDO1TAAR1
SCHEMBL11469239 0.82 MAPT (0.42) MAPTSLC5A1SLC5A2MPOIDO1
SCHEMBL11276656 0.82 ALDH1A1 (0.37) MAPTSLC5A1SLC5A2IDO1DAO
SCHEMBL11280636 0.81 BCL2 (0.44) TAAR1
SCHEMBL11362714 0.80 DAO (0.40) MPOIDO1DAODBHHCAR2
SCHEMBL11361264 0.78 LTA4H (0.44) SLC5A1SLC5A2MPOIDO1
SCHEMBL1491971 0.74
SCHEMBL4676687 0.71 KMT2A (0.39) MAPTLMNARETKDR
SCHEMBL11362552 0.70 MAPT (0.43) MAPTMPODAODBHHCAR2
SCHEMBL4869623 0.69 MPO (0.45) SLC5A1SLC5A2MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4252724-A Novel compositions ZOECON CORPORATION (US) 1981-02-24 US disclosed
US-4229352-A Benzylpyrrolylmethyl esters of cyclopropane carboxylic acids ZOECON CORPORATION (US) 1980-10-21 US disclosed
US-4224330-A Esters and thiolesters of benzothienyl acids ZOECON CORPORATION (US) 1980-09-23 US disclosed