SCHEMBL11825232

SCHEMBL11825232

c1ccc(CCc2ccccc2C2CO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
Bicarbonate SCHEMBL9187058 0.82 BID (0.48)
SCHEMBL11078799 0.78 MEN1 (0.48) TSHRDRD2MEN1KMT2ATAAR1
SCHEMBL20052999 0.77 TSHR (0.50) TSHRHTR1ADRD2MEN1KMT2A
SCHEMBL8951260 0.75 MEN1 (0.41) TSHRHTR1AMEN1KMT2AALDH1A1
SCHEMBL7049394 0.75 TSHR (0.41) TSHRALDH1A1TAAR1
SCHEMBL8358228 0.75 CTSB (0.49) TSHRMEN1KMT2A
SCHEMBL31503923 0.75 TSHR (0.41) TSHRALDH1A1TAAR1
SCHEMBL28260280 0.75 TSHR (0.41) TSHR
SCHEMBL2307568 0.74 CYSLTR2 (0.50) TSHRDRD2MEN1KMT2ANR1H2
SCHEMBL379442 0.74 CYSLTR2 (0.50) TSHRDRD2MEN1KMT2ANR1H2

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-3975279-A B-(HALOPROPYL)-THIONOPHOSPHATE AND A STYRENE OXIDE ETHYL CORPORATION (US) 1976-08-17 US disclosed