SCHEMBL8465182

SCHEMBL8465182

CCC(C)(C)c1cc(CCCCCCC(C)C)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.41
ALOX15 P16050 7/20 0.41
KAT8 Q9H7Z6 2/20 0.40
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
CDK1 P06493 1/20 0.38
HTR1A P08908 1/20 0.38
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 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
SCHEMBL8461823 0.89 IGF1R (0.41) IGF1RALOX15KAT8GRIN2DGRIN2A
SCHEMBL11806538 0.87 IGF1R (0.44) IGF1RALOX15KAT8GRIN2DGRIN2A
SCHEMBL8462078 0.87 ALOX15 (0.44) IGF1RALOX15KAT8GRIN2DGRIN2A
SCHEMBL8461463 0.87 ALOX15 (0.44) IGF1RALOX15KAT8GRIN2DGRIN2A
SCHEMBL8461820 0.87 KAT8 (0.45) KAT8HTR1ACYP3A4PPARAESR1
SCHEMBL27488314 0.83 APP (0.46) GRIN2DGRIN2AGRIN2BGRIN2CHTR1A
SCHEMBL28596261 0.82 NPC1 (0.49) IGF1RALOX15KAT8CYP3A4NPSR1
SCHEMBL28571585 0.81 ALOX15 (0.46) IGF1RALOX15GRIN2DGRIN2AGRIN2B
SCHEMBL2916047 0.81 IGF1R (0.43) IGF1RALOX15KAT8NPSR1PPARA
SCHEMBL27489333 0.80 YWHAG (0.42) CYP3A4MEN1CYP1A2POLBCYP2D6

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 3 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 disclosed
US-5393332-A Salt of salicylic acid SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1995-02-28 US 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