SCHEMBL27319263

SCHEMBL27319263

CCc1ccc(C=C/C=C/C=C/CO)cc1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
APP P05067 3/20 0.34
GABRA1 P14867 3/20 0.34

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
SCHEMBL27678501 0.77 ALOX5 (0.46) CYP3A4ALDH1A1RECQLTUBB1APP
SCHEMBL27450728 0.76 TUBB1 (0.44) CYP3A4ALDH1A1RECQLTUBB4ATUBB
SCHEMBL18296917 0.75 ALOX5 (0.47) CYP3A4ALDH1A1RECQLTUBB1APP
SCHEMBL27738997 0.73 APP (0.45) CYP3A4ALDH1A1RECQLTUBB4ATUBB
SCHEMBL27533453 0.72 GABRA1 (0.41) CYP3A4ALDH1A1RECQLTUBB4ATUBB
SCHEMBL27509570 0.72 TUBB1 (0.40) CYP3A4ALDH1A1RECQLTUBB4ATUBB
SCHEMBL10533955 0.71 CA1 (0.45) CYP3A4ALDH1A1RECQLTUBB4ATUBB
SCHEMBL18195213 0.70 CNR2 (0.44) CYP3A4ALDH1A1PTGS1PTGS2IAPP
SCHEMBL16957699 0.70 CYP1A2 (0.35) CYP3A4ALDH1A1GABRA1GABRB2PTGS1
SCHEMBL10746611 0.69 CNR2 (0.55) CYP3A4ALDH1A1PTGS1

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
CN-105209539-A Hinge polymer NOVA CHEM INT SA 2015-12-30 CN disclosed
CN-1080741-C Method of thermoforming polyolefin resin MILLIKEN RES CORP (US) 2002-03-13 CN disclosed
CN-1044127-C Polyolefin composition containing ultrafine sorbitol and xylitol acetals MILLIKEN RES CORP (US) 1999-07-14 CN disclosed
CN-1194657-A Method of thermoforming polyolefin resin MILLIKEN RES CORP (US) 1998-09-30 CN disclosed
CN-1079974-A The polyolefin compositions that contains sorbyl alcohol and xylitol acetals ultrafine powder MILLIKEN RES CORP (US) 1993-12-29 CN disclosed