SCHEMBL9505356

SCHEMBL9505356

O=P(O)(O)CN(CCC(O)Cl)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.40
ERAP1 Q9NZ08 2/20 0.40
ERAP2 Q6P179 1/20 0.40
ACP3 P15309 3/20 0.39
DPP7 Q9UHL4 1/20 0.39
LAP3 P28838 3/20 0.38
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
PTPN1 P18031 1/20 0.35
GRIN2D O15399 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
SCHEMBL1655196 0.81 LAP3 (0.46) ANPEPERAP1ERAP2ACP3LAP3
SCHEMBL3425324 0.81 LAP3 (0.46) ANPEPERAP1ERAP2ACP3LAP3
SCHEMBL7192594 0.80 HTT (0.50) ANPEPLAP3ALDH1A1HTTHDAC3
SCHEMBL10383331 0.79 LAP3 (0.44) ANPEPERAP1ERAP2ACP3LAP3
SCHEMBL6833041 0.73 LAP3 (0.40) ANPEPLAP3NPC1RAB9AHDAC3
SCHEMBL9505404 0.71 ALOX15 (0.41) ANPEPACP3LAP3NPC1ALDH1A1
SCHEMBL12227404 0.71 MEN1 (0.50) ANPEPLAP3ALDH1A1HTTHDAC3
SCHEMBL7192599 0.69 MEN1 (0.42) ANPEPERAP1ERAP2ACP3LAP3
SCHEMBL9715390 0.69 LAP3 (0.44) ANPEPERAP1ERAP2ACP3LAP3
Hydrochloric Acid SCHEMBL3372149 0.69 POLB (0.46) NPC1ALDH1A1GLAHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0401833-B1 AMINOPHOSPHONATE-CONTAINING POLYMERS National Starch and Chemical Investment Holding Corporation (US) 1993-09-01 EP disclosed
US-5126108-A For dispersion of aqueous slurries, also antideposit and antiscaling agent NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1992-06-30 US disclosed
EP-0401833-A2 Aminophosphonate-Containing Polymers National Starch and Chemical Investment Holding Corporation (US) 1990-12-12 EP disclosed