SCHEMBL9602793

SCHEMBL9602793

CCC(CC)(CP(=O)(O)O)c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 8/20 0.40
TRPA1 O75762 1/20 0.33
BTN3A1 O00481 1/20 0.33
PDE3A Q14432 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MPO P05164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2C19 P33261 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL9602538 0.83 FDPS (0.38) FDPSTRPA1LMNAHPGD
SCHEMBL9602511 0.81 FDPS (0.44) FDPSBTN3A1PDE3ALMNACYP1A2
SCHEMBL9602494 0.75 MYC (0.35) FDPS
SCHEMBL4197284 0.74 FDPS (0.46) FDPSBTN3A1PDE3ALMNAHPGD
SCHEMBL28982356 0.71 CYP19A1 (0.35) FDPS
SCHEMBL8768063 0.71 SMN1; SMN2 (0.43) FDPS
SCHEMBL9602506 0.69 FDPS (0.41) FDPSTRPA1BTN3A1PDE3AHDAC3
Hydrochloric Acid SCHEMBL2342460 0.67 MAPT (0.48) FDPSLMNAKDM4EMPOCYP1A2
SCHEMBL14743401 0.66 KIF11 (0.37) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL241549 0.66 PGK1 (0.32)

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