SCHEMBL5810358

SCHEMBL5810358

CCC(C)Cn1ccc2c[c]ccc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.38
HTR2A P28223 11/20 0.38
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HTR2B P41595 1/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9031885 0.86 HTR2C (0.37) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL6229841 0.85 HTR2C (0.41) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL189124 0.80 CDK4 (0.35) HTR2CHTR2A
SCHEMBL698157 0.79 HTR2C (0.40) HTR2CHTR2ATSHRSMN1; SMN2CYP1A2
SCHEMBL694594 0.77 CDK4 (0.41) HTR2CHTR2ALMNAHTT
SCHEMBL5814894 0.74 CDK4 (0.44) HTR2CHTR2ATSHRLMNAHTT
SCHEMBL6228700 0.73 CDK4 (0.35) LMNA
SCHEMBL6400236 0.72 KMT2A (0.39) HTR2CHTR2A
SCHEMBL6231638 0.72 HTR2C (0.33) HTR2CHTR2A
SCHEMBL16719793 0.72 HTR2A (0.40) HTR2CHTR2A

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-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO disclosed