SCHEMBL7405609

SCHEMBL7405609

CCCCS(=O)(=O)c1ccc(C)cc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ HPGD P15428 3/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ THRB P10828 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL2703944 0.83 ALOX5AP (0.46) TP53SMN1; SMN2HPGDALDH1A1CYP3A4
SCHEMBL27903070 0.79 CA12 (0.52) TP53HPGDALDH1A1CYP3A4CYP2C19
SCHEMBL4629540 0.78 ALOX5AP (0.50) TP53SMN1; SMN2HPGDALOX5APFEN1
SCHEMBL10407445 0.78 RAPGEF4 (0.44) SMN1; SMN2HPGDALDH1A1CYP3A4CYP2C9
SCHEMBL4126510 0.77 HDAC7 (0.47) SMN1; SMN2PTGDR2HPGDHDAC7ALDH1A1
SCHEMBL4629650 0.77 ALOX5AP (0.52) ALOX5APFEN1
SCHEMBL7234855 0.76 HDAC7 (0.46) SMN1; SMN2PTGDR2HPGDHDAC7ALDH1A1
SCHEMBL5342294 0.75 ALDH1A1 (0.42) TP53HPGDALDH1A1THRBCYP3A4
SCHEMBL3662287 0.75 ALDH1A1 (0.42) TP53HPGDALDH1A1CYP3A4CYP2C9
SCHEMBL5523284 0.74 HDAC7 (0.45) SMN1; SMN2PTGDR2HPGDHDAC7ALDH1A1

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
US-6124323-A ACTIVE DRUG TREATING STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMIOGLYCOSIDE ANTIBIOTICS-INDUCED HEARING LOSS, MIGRAINE HEADACHES, CHRONIC PAIN, GLAUCOMA, CMV RETINITIS, PSYCHOSIS WARNER-LAMBERT COMPANY (US) 2000-09-26 — — US disclosed
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 — — EP disclosed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 — — EP disclosed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 — — WO disclosed
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