SCHEMBL9716035

SCHEMBL9716035

OC(=S)c1ccccc1OCc1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.54
ALOX5 P09917 5/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.43
S1PR5 Q9H228 1/20 0.42
PARP1 P09874 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL9716022 0.85 CAPN1 (0.49) CAPN1ALOX5RAB9AALDH1A1MAPT
SCHEMBL1388149 0.85 CAPN1 (0.60) CAPN1RAB9AALDH1A1KMT2AMRGPRX4
SCHEMBL7390738 0.81 PARP1 (0.67) CAPN1RAB9AMAPTLMNAKMT2A
SCHEMBL10434698 0.78 CAPN1 (0.54) CAPN1ALOX5RAB9AALDH1A1HPGD
SCHEMBL7787014 0.78 CAPN1 (0.57) CAPN1RAB9AALDH1A1MAPTHPGD
SCHEMBL10854605 0.78 APP (0.60) CAPN1ALOX5RAB9AALDH1A1MAPT
Water SCHEMBL8980772 0.77 CAPN1 (0.55) CAPN1ALDH1A1KMT2AMRGPRX4
SCHEMBL5843913 0.77 CAPN1 (0.55) CAPN1ALOX5RAB9AMAPTLMNA
SCHEMBL26358063 0.77 MRGPRX4 (0.57) CAPN1ALOX5RAB9AALDH1A1MAPT
SCHEMBL9346892 0.76 CAPN1 (0.55) CAPN1ALOX5RAB9AALDH1A1HPGD

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-5147752-A Crosslinked binder FUJI PHOTO FILM CO., LTD. (JP) 1992-09-15 US disclosed