SCHEMBL9602506

SCHEMBL9602506

CCCC(CC)(c1ccncc1)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.41
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NAAA Q02083 1/20 0.33
TRPA1 O75762 1/20 0.32
CYP19A1 P11511 2/20 0.32
CYP17A1 P05093 1/20 0.32
POLB P06746 1/20 0.31
BTN3A1 O00481 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL4197284 0.90 FDPS (0.46) FDPSHDAC3HDAC1HDAC2CYP19A1
SCHEMBL7870277 0.76 PGK1 (0.44) FDPS
SCHEMBL1353298 0.72 PGK1 (0.47)
Hydrogen Peroxide SCHEMBL8609891 0.71 PTPN1 (0.52) FDPSHDAC1POLB
SCHEMBL5859053 0.71 PTPN5 (0.46)
SCHEMBL1556937 0.71 PTPN1 (0.52) FDPSHDAC1POLB
SCHEMBL18642491 0.70 CCR1 (0.34) FDPS
SCHEMBL4197085 0.70 FDPS (0.47) FDPSCYP19A1BTN3A1PDE3A
SCHEMBL9602538 0.70 FDPS (0.38) FDPSTRPA1
SCHEMBL11761399 0.69 FDPS (0.52) FDPSPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5217963-A Antiischemic, antiepileptic agent CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
US-5057506-A Anticonvulsants, antispasmodic and antischemic agents CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed
EP-0203891-B1 CERTAIN PHOSPHONIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1991-05-15 EP disclosed
US-4906621-A Certain 2-carboxypiperidyl-alkylene phosphonic acids and esters thereof useful for the treatment of disorders responsive to N-methyl-D-aspartate receptor blockade CIBA-GEIGY CORPORATION (US) 1990-03-06 US disclosed
US-4898854-A NERVOUS SYSTEM DISORDERS CIBA-GEIGY CORPORATION (US) 1990-02-06 US disclosed
EP-0203891-A2 Certain phosphonic acids and derivatives CIBA-GEIGY AG (CH) 1986-12-03 EP disclosed