SCHEMBL22444762

SCHEMBL22444762

CCCCCCC(C#N)c1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.46
TSHR P16473 1/20 0.43
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
NAAA Q02083 1/20 0.37
CSNK1E P49674 1/20 0.37
IKBKB O14920 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 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
SCHEMBL22444566 1.00 CCR1 (0.46) CCR1TSHRGABRA1GABRB2CYSLTR2
SCHEMBL22444451 1.00 CCR1 (0.46) CCR1TSHRGABRA1GABRB2CYSLTR2
SCHEMBL18284602 0.98 CCR1 (0.46) CCR1TSHRGABRA1GABRB2CYSLTR2
SCHEMBL22444557 0.87 TSHR (0.48) CCR1TSHRGABRA1GABRB2ALDH1A1
SCHEMBL8505734 0.83 CYSLTR2 (0.37) CCR1TSHRCYSLTR2CYSLTR1PRSS1
SCHEMBL11851164 0.81 CCR1 (0.46) CCR1CYSLTR2CYSLTR1PRSS1PRSS2
SCHEMBL11854722 0.81 CCR1 (0.46) CCR1CYSLTR2CYSLTR1PRSS1PRSS2
SCHEMBL31036078 0.81 ESR1 (0.36) CCR1TSHRCYSLTR2CYSLTR1PRSS1
SCHEMBL2554095 0.80 TSHR (0.57) CCR1TSHRGABRA1GABRB2ALDH1A1
SCHEMBL11845744 0.79 CCR1 (0.47) CCR1CYSLTR2CYSLTR1PRSS1PRSS2

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-2020189201-A1 METHOD FOR PRODUCING BISPHENOL AND METHOD FOR PRODUCING POLYCARBONATE RESIN 三菱ケミカル株式会社 2020-09-24 WO disclosed