SCHEMBL7942121

SCHEMBL7942121

CCN(CC)CCOCc1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 6/20 0.51
IDO1 P14902 3/20 0.49
HTT P42858 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 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
SCHEMBL10268366 0.82 IDO1 (0.56) IDO1HTTKDM4ESMN1; SMN2MRGPRX4
SCHEMBL16681886 0.79 IDO1 (0.53) IDO1HTTKDM4EMRGPRX4CYP1A2
SCHEMBL15677635 0.78 IDO1 (0.60) IDO1HTTKDM4ESMN1; SMN2MRGPRX4
SCHEMBL7888003 0.77 IDO1 (0.69) IDO1HTTSMN1; SMN2MRGPRX4CYP1A2
SCHEMBL22519886 0.77 HTT (0.61) IDO1HTTKDM4EMRGPRX4CYP1A2
SCHEMBL15702586 0.77 PYCR1 (0.49) CCR4IDO1CYP1A2CYP3A4CYP2C9
SCHEMBL6857573 0.76 IDO1 (0.58) IDO1HTTSMN1; SMN2MRGPRX4CYP1A2
SCHEMBL26421494 0.75 HTT (0.59) CCR4IDO1HTTKDM4ESMN1; SMN2
SCHEMBL10636887 0.75 IDO1 (0.56) IDO1HTTSMN1; SMN2MRGPRX4CYP1A2
SCHEMBL24345065 0.74 PYCR1 (0.53) CCR4IDO1HTTKDM4ECYP1A2

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
US-6239078-B1 AQUEOUS SOLUTION CONTAINING AN AROMATIC AMINE CONTAINING ETHER GROUP TROPICANA PRODUCTS, INC. 2001-05-29 US claimed
US-6090983-A Matter of composition and method for using the same as plant bioregulators TROPICANA PRODUCTS, INC. (US) 2000-07-18 US claimed
US-5298483-A Biodegradable TROPICANA PRODUCTS, INC. (US) 1994-03-29 US claimed