SCHEMBL9602511

SCHEMBL9602511

CCC(CC)(CP(=O)(O)O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 8/20 0.44
BTN3A1 O00481 1/20 0.43
PDE3A Q14432 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KCNA5 P22460 2/20 0.41
CYP19A1 P11511 2/20 0.39

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
SCHEMBL9602793 0.81 FDPS (0.40) FDPSBTN3A1PDE3ALMNACYP1A2
SCHEMBL4197085 0.79 FDPS (0.47) FDPSBTN3A1PDE3ALMNACYP1A2
SCHEMBL15533205 0.77 FDPS (0.53) FDPSBTN3A1PDE3ALMNACYP1A2
SCHEMBL4725467 0.75 FDPS (0.51) FDPSBTN3A1PDE3ALMNACYP1A2
SCHEMBL8389732 0.74 FDPS (0.46) FDPSBTN3A1PDE3ALMNACYP1A2
SCHEMBL9850885 0.73 LMNA (0.51) FDPSBTN3A1PDE3ALMNACYP1A2
SCHEMBL6777278 0.72 LMNA (0.42) FDPSBTN3A1PDE3ALMNACYP1A2
Water SCHEMBL29532583 0.71 LMNA (0.50) FDPSBTN3A1PDE3ALMNACYP1A2
SCHEMBL8768063 0.71 SMN1; SMN2 (0.43) FDPS
SCHEMBL8389091 0.71 FDPS (0.40) FDPSBTN3A1PDE3ALMNACYP1A2

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
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-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