SCHEMBL663380

SCHEMBL663380

Oc1ccc(Cl)c(Cl)c1Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
RHEB Q15382 4/20 0.45
LTA4H P09960 2/20 0.43
NR1H2 P55055 1/20 0.43
BAX Q07812 1/20 0.43
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
STK39 Q9UEW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL27429367 0.88 RHEB (0.49) RHEBLTA4HNR1H2BAXTSHR
SCHEMBL10412578 0.88 LTA4H (0.46) CYP3A4MAPK1RHEBLTA4HNR1H2
SCHEMBL11432939 0.85 RHEB (0.53) CYP3A4RHEBLTA4HNR1H2BAX
Diphenylether SCHEMBL27653681 0.84 CYP3A4 (0.64) CYP3A4MAPK1RHEBLTA4HNR1H2
SCHEMBL10931576 0.83 LTA4H (0.55) LTA4HNR1H2BAXTSHRMAPT
SCHEMBL8857070 0.81 RHEB (0.49) CYP3A4RHEBLTA4HNR1H2BAX
SCHEMBL1532087 0.80 ALDH1A1 (0.48) RHEBLTA4HNR1H2BAXTSHR
SCHEMBL1767624 0.78 RHEB (0.47) CYP3A4RHEBLTA4HNR1H2BAX
SCHEMBL2714039 0.77 LTA4H (0.48) LTA4HNR1H2BAXTSHRMAPT
SCHEMBL1834612 0.76 LTA4H (0.52) CYP3A4LTA4HNR1H2BAXTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115813982-A Traditional Chinese medicine composition, anti-inflammatory acne-removing essence and application 闽江学院 2023-03-21 CN disclosed
CN-103058331-A Process for treating wastewater containing pyridin alcohol sodium by adopting BDD (boron-doped diamond) film electrode Jiangsu fengshan group co ltd 2013-04-24 CN disclosed
US-20120045496-A1 IONIZED PERFORMANCE FABRIC WITH ANTIMICROBIAL/ANTIBACTERIAL/ANTIFUNGAL PROPERTIES TECHNICAL TEXTILES 2012-02-23 US disclosed
WO-2010093362-A1 IONIZED PERFORMANCE FABRIC WITH ANTIMICROBIAL/ANTIBACTERIAL/ANTIFUNGAL PROPERTIES TECHNICAL TEXTILES (US) 2010-08-19 WO disclosed
CN-1291717-C Antipruritic TORAY INDUSTRIES (JP) 2006-12-27 CN disclosed
CN-1180844-C Antipruritic agent ������������ʽ���� 2004-12-22 CN disclosed
CN-1535687-A Antipruritic ������������ʽ���� 2004-10-13 CN disclosed
CN-1530111-A Antipruritic ������������ʽ���� 2004-09-22 CN disclosed
CN-1214634-A Antipruritic agent TORAY INDUSTRIES (JP) 1999-04-21 CN disclosed