SCHEMBL9350263

SCHEMBL9350263

O=C(c1ccccc1)c1c2ccccc2c(O)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SRD5A2 P31213 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
AKR1C3 P42330 1/20 0.45
BCL2L1 Q07817 1/20 0.45
HTT P42858 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL7918712 0.91 ALDH1A1 (0.68) ALDH1A1ATMTDP1L3MBTL1SRD5A2
SCHEMBL1666980 0.83 ALDH1A1 (0.65) ALDH1A1ATMTDP1L3MBTL1SRD5A2
SCHEMBL2477681 0.81 HSD17B10 (0.58) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL28678655 0.80 ALDH1A1 (0.68) ALDH1A1ATMTDP1L3MBTL1SRD5A2
SCHEMBL1039786 0.80 HTT (0.56) ALDH1A1ATMTDP1L3MBTL1SRD5A2
SCHEMBL1064484 0.78 ALDH1A1 (0.65) ALDH1A1ATMTDP1L3MBTL1SRD5A2
SCHEMBL7100257 0.78 MAPT (0.51) ALDH1A1ATMTDP1L3MBTL1SRD5A2
Benzophenone SCHEMBL11421971 0.77 ALDH1A1 (0.64) ALDH1A1ATMTDP1L3MBTL1SRD5A2
SCHEMBL11411960 0.77 ALDH1A1 (0.50) ALDH1A1ATMTDP1L3MBTL1SRD5A2
SCHEMBL31177917 0.76 MEN1 (0.69) ALDH1A1ATMTDP1L3MBTL1SRD5A2

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
EP-0320227-B1 Method of preventing polymer-scale formation SHINETSU CHEMICAL CO (JP) 1994-09-07 EP disclosed
US-4933399-A COATING INSIDE OF VESSEL WITH A CATIONIC DYE, DRYING, COATING WITH AN ANIONIC OR AMPHOTERIC POLYMER OR A HYDROXYL-CONTAINING COMPOUND IN A SOLVENT SHIN-ETSU CHEMICAL CO., LTD. (JP) 1990-06-12 US disclosed