SCHEMBL7079587

SCHEMBL7079587

O=P(O)(O)NC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.52
CA12 O43570 5/20 0.52
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
CA9 Q16790 5/20 0.52
MMP1 P03956 2/20 0.52
MMP8 P22894 2/20 0.52
MMP3 P08254 1/20 0.52
EPHX1 P07099 6/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
EPHX2 P34913 1/20 0.44
ANPEP P15144 2/20 0.44
ERAP2 Q6P179 2/20 0.44
GLA P06280 1/20 0.43

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
SCHEMBL27568440 0.86
SCHEMBL6831667 0.80 MMP2 (0.48) MMP2CA12CA1CA2CA9
SCHEMBL10936523 0.80 MMP2 (0.48) MMP2CA12CA1CA2CA9
SCHEMBL3081557 0.78 GLA (0.46) MMP2CA12CA1CA2CA9
SCHEMBL11140410 0.77 MMP2 (0.46) MMP2CA12CA1CA2CA9
Phosphoric Acid SCHEMBL9860603 0.76 ALDH1A1 (0.67) MMP2CA12CA1CA2CA9
Phosphoric Acid SCHEMBL8573215 0.76 ALDH1A1 (0.67) MMP2CA12CA1CA2CA9
SCHEMBL9746636 0.75 ANPEP (0.60) MMP2CA12CA1CA2CA9
SCHEMBL16111997 0.75 ANPEP (0.60) MMP2CA12CA1CA2CA9
SCHEMBL28021477 0.75 MMP2 (0.48) MMP2CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
US-3980701-A Extraction of carboxylic acids from dilute aqueous solutions THE DOW CHEMICAL COMPANY (US) 1976-09-14 US disclosed
US-3980704-A Extraction of carboxylic acids from dilute aqueous solutions THE DOW CHEMICAL COMPANY (US) 1976-09-14 US disclosed
US-3980703-A Extraction of carboxylic acids from dilute aqueous solutions THE DOW CHEMICAL COMPANY (US) 1976-09-14 US disclosed
US-3980702-A Extraction of carboxylic acids from dilute aqueous solutions THE DOW CHEMICAL COMPANY (US) 1976-09-14 US disclosed