SCHEMBL9716022

SCHEMBL9716022

S=C(OCc1ccc2ccccc2c1)c1ccccc1OCc1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.49
RAB9A P51151 1/20 0.43
PARP1 P09874 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX5 P09917 4/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
HTR3A P46098 1/20 0.40

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
SCHEMBL9716035 0.85 CAPN1 (0.54) CAPN1RAB9APARP1ALDH1A1MAPT
SCHEMBL7390738 0.81 PARP1 (0.67) CAPN1RAB9APARP1MAPTLMNA
SCHEMBL1388149 0.79 CAPN1 (0.60) CAPN1RAB9AALDH1A1HTTKMT2A
SCHEMBL7787014 0.76 CAPN1 (0.57) CAPN1RAB9AALDH1A1MAPTHPGD
SCHEMBL10434698 0.76 CAPN1 (0.54) CAPN1RAB9APARP1ALDH1A1HPGD
SCHEMBL10854605 0.75 APP (0.60) CAPN1RAB9AALDH1A1MAPTHPGD
SCHEMBL28440304 0.74 RAB9A (0.49) RAB9AALDH1A1MAPTALOX5CNR1
SCHEMBL9346892 0.74 CAPN1 (0.55) CAPN1RAB9AALDH1A1HPGDLMNA
SCHEMBL9598981 0.72 RAB9A (0.50) CAPN1RAB9AALDH1A1MAPTHPGD
SCHEMBL10434818 0.72 APP (0.60) RAB9AALDH1A1MAPTALOX5

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