SCHEMBL5886405

SCHEMBL5886405

CCCCc1ccc(O)c(C)c1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.65
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX5 P09917 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ELANE P08246 1/20 0.40
CTSG P08311 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL5488523 0.94 TYR (0.73) TYRHTTMEN1TP53CYP3A4
SCHEMBL9244588 0.92 TYR (0.77) TYRHTTMEN1TP53CYP3A4
SCHEMBL27475908 0.92 TYR (0.77) TYRHTTMEN1TP53CYP3A4
SCHEMBL27730242 0.92 TYR (0.77) TYRHTTMEN1TP53CYP3A4
SCHEMBL21439892 0.87 TYR (0.53) TYRHTTMEN1TP53CYP3A4
SCHEMBL887608 0.86 TYR (0.62) TYRHTTMEN1TP53CYP3A4
SCHEMBL709628 0.86 TYR (0.58) TYRHTTMEN1TP53CYP3A4
SCHEMBL16190919 0.86 TYR (0.86) TYRHTTMEN1TP53CYP3A4
SCHEMBL29488065 0.86 TYR (0.62) TYRHTTMEN1TP53CYP3A4
SCHEMBL5676330 0.86 TYR (0.62) TYRHTTMEN1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113226171-B Device and method for applying a topical composition guided by a projection reference 强生消费者公司 2024-05-28 CN disclosed
CN-113698279-B Method for separating and extracting 3, 5-xylenol from industrial xylenol 盐城工学院 2022-08-23 CN disclosed
CN-113698279-A Method for separating and extracting 3, 5-xylenol from industrial xylenol 盐城工学院 2021-11-26 CN disclosed
CN-107428860-B Method for producing (meth) acrylic resin composition 株式会社可乐丽 2020-09-01 CN disclosed
CN-107001511-A Method for producing (meth) acrylic resin composition 株式会社可乐丽 2017-08-01 CN disclosed
US-6995022-B1 Screening of xenobiotics and endogenous compounds for metabolic transformation, formation of toxic metabolites, and bioavailability BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2006-02-07 US disclosed
US-20050086856-A1 Composition INNOSPEC LIMITED (GB) 2005-04-28 US disclosed
WO-2004013260-A1 JET FUEL COMPOSITION COMPRISING A PHENOL DERIVATIVE THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 2004-02-12 WO disclosed
CN-1085218-C Olefin polymerization catalyst ASAHI CHEMICAL IND (JP) 2002-05-22 CN disclosed
WO-1999061910-A1 SCREENING OF COMPOUNDS USING ULTRAFILTRATION AND MASS SPECTOMETRY BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1999-12-02 WO disclosed
CN-1150447-A Lead-free MMT fuel compositions WILLIAM C ORR (US) 1997-05-21 CN disclosed