SCHEMBL8948484

SCHEMBL8948484

OCC(Sc1ccc(O)cc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MPO P05164 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
NR1H2 P55055 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
GLA P06280 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MMP3 P08254 1/20 0.35
BCL2L1 Q07817 1/20 0.35
TRPA1 O75762 4/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL3128715 0.88 MPO (0.42) LMNAALDH1A1MPOTRPA1PKM
SCHEMBL27915623 0.84 PDPK1 (0.47) LMNAHSD17B10MPOIDO1TDO2
SCHEMBL10233175 0.84 LMNA (0.46) LMNAHSD17B10ALDH1A1MPOIDO1
SCHEMBL27915714 0.84 L3MBTL1 (0.43) LMNAALDH1A1MPOTDP1TRPA1
SCHEMBL12427037 0.76 IDO1 (0.42) LMNAHSD17B10ALDH1A1IDO1TDO2
SCHEMBL4366664 0.76 MPO (0.44) LMNAHSD17B10ALDH1A1MPOTDP1
SCHEMBL8345057 0.73 TRPA1 (0.43) LMNAALDH1A1MPOTDP1TRPA1
SCHEMBL32672505 0.73 TRPA1 (0.43) LMNAALDH1A1TRPA1PKMSMN1; SMN2
SCHEMBL10234305 0.73 DAO (0.51) LMNAHSD17B10ALDH1A1IDO1TDO2
SCHEMBL3234111 0.73 ESR1 (0.52) LMNAALDH1A1NR1H2TDP1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8053408-A None JP disclosed
JP-H0853408-A PHENYLETHANE DERIVATIVE AND HEAT-SENSITIVE RECORDING MATERIAL USING THE SAME NIPPON SODA CO LTD 1996-02-27 JP disclosed