SCHEMBL8465007

SCHEMBL8465007

CC(C)CCCCCCc1ccc(O)c(CCCCCCC(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
IGF1R P08069 7/20 0.48
ALOX15 P16050 7/20 0.48
BACE1 P56817 1/20 0.44
CDK1 P06493 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
KAT8 Q9H7Z6 2/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL8461732 1.00 GABRA1 (0.50) GABRA1GABRB2IGF1RALOX15BACE1
SCHEMBL27708224 0.94 KAT8 (0.48) GABRA1GABRB2IGF1RALOX15BACE1
SCHEMBL8204385 0.93 GABRA1 (0.53) GABRA1GABRB2IGF1RALOX15BACE1
SCHEMBL11600670 0.92 GABRA1 (0.49) GABRA1GABRB2IGF1RALOX15BACE1
Phenol SCHEMBL8465261 0.91 IGF1R (0.46) GABRA1GABRB2IGF1RALOX15GRIN2D
SCHEMBL9502998 0.91 KAT8 (0.51) GABRA1GABRB2ALOX15KAT8MEN1
SCHEMBL9504205 0.91 KAT8 (0.51) GABRA1GABRB2ALOX15KAT8MEN1
SCHEMBL9502141 0.90 GABRA1 (0.47) GABRA1GABRB2IGF1RALOX15BACE1
SCHEMBL10704495 0.88 GABRA1 (0.45) GABRA1GABRB2IGF1RALOX15BACE1
SCHEMBL8163741 0.85 GABRA1 (0.47) GABRA1GABRB2IGF1RALOX15BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548906-B1 Method for preparing nuclear-substituted salicylic acid metal salts and color developer for pressure-sensitive recording sheets SANKO KAIHATSU KAGAKU KENK (JP) 1999-03-31 EP claimed
US-5393332-A Salt of salicylic acid SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1995-02-28 US claimed
EP-0548906-A2 Method for preparing nuclear-substituted salicylic acids and metal salts thereof Sanko Kaihatsu Kagaku Kenkyusho (JP) 1993-06-30 EP claimed
JP-5270124-A None JP disclosed
EP-0548906-B1 Method for preparing nuclear-substituted salicylic acid metal salts and color developer for pressure-sensitive recording sheets SANKO KAIHATSU KAGAKU KENK (JP) 1999-03-31 EP disclosed
US-5393332-A Salt of salicylic acid SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1995-02-28 US disclosed
JP-H05270124-A MANUFACTURE OF COLOR DEVELOPER COMPOSITION SANKO CHEM CO LTD 1993-10-19 JP disclosed
EP-0548906-A2 Method for preparing nuclear-substituted salicylic acids and metal salts thereof Sanko Kaihatsu Kagaku Kenkyusho (JP) 1993-06-30 EP disclosed