SCHEMBL9505404

SCHEMBL9505404

C=CCN(Cc1ccccc1)CP(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
BCHE P06276 3/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
LAP3 P28838 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ANPEP P15144 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
HPGD P15428 1/20 0.37
ACP3 P15309 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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 0.84 LAP3 (0.46) TSHRKMT2AMEN1LAP3NPC1
SCHEMBL3425324 0.84 LAP3 (0.46) TSHRKMT2AMEN1LAP3NPC1
SCHEMBL10383331 0.83 LAP3 (0.44) TSHRKMT2AMEN1LAP3ANPEP
SCHEMBL2688603 0.80 BCHE (0.49) TSHRBCHEKMT2AKDM4EMEN1
SCHEMBL516674 0.80 BCHE (0.49) TSHRBCHEKMT2AKDM4EMEN1
Hydrochloric Acid SCHEMBL10548138 0.79 BCHE (0.48) TSHRBCHEKMT2AKDM4EMEN1
Hydrochloric Acid SCHEMBL3752186 0.79 BCHE (0.48) TSHRBCHEKMT2AKDM4EMEN1
SCHEMBL7437032 0.77 KMT2A (0.45) BCHEKMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL7192594 0.77 HTT (0.50) TSHRKMT2AKDM4EMEN1GAA
SCHEMBL6833041 0.77 LAP3 (0.40) LAP3NPC1RAB9AANPEPCA12

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 4 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
US-5023368-A Dispersant, corrosion resistance, antideposit agents, water treatment NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1991-06-11 US disclosed
EP-0401833-A2 Aminophosphonate-Containing Polymers National Starch and Chemical Investment Holding Corporation (US) 1990-12-12 EP disclosed