SCHEMBL19676722

SCHEMBL19676722

C=C(O)C(C)C(CN)CCC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.33
TSHR P16473 1/20 0.31
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4758025 0.78 CHRM1 (0.44) METAP1TSHRCHRM1AKR1A1CHRM3
SCHEMBL2327009 0.78 CHRM1 (0.44) METAP1TSHRCHRM1AKR1A1CHRM3
SCHEMBL2327013 0.78 CHRM1 (0.44) METAP1TSHRCHRM1AKR1A1CHRM3
SCHEMBL5932767 0.71
SCHEMBL22138552 0.70 METAP1 (0.39) METAP1TSHRTDP1
SCHEMBL20309928 0.69
SCHEMBL7558680 0.69 METAP1 (0.34) METAP1TSHRTDP1
SCHEMBL13164212 0.69 METAP1 (0.38) METAP1TSHRTDP1
SCHEMBL10896048 0.68 METAP1 (0.35) METAP1TSHRTDP1
SCHEMBL24359630 0.67 METAP1 (0.33) METAP1TSHRTDP1

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
EP-3252791-A1 DYE-SENSITIZED SOLAR CELL Tanaka Kikinzoku Kogyo K.K. (JP) 2017-12-06 EP disclosed