SCHEMBL4660356

SCHEMBL4660356

Cc1ccc(C(=O)Oc2ccc(CO)cc2CCCc2cccc(N(C(C)C)C(C)C)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
PTGER1 P34995 2/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
ELANE P08246 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL4659041 0.92 CHRM2 (0.39) CYP4F2CYP4A11PTGER1PTGER4PTGER3
SCHEMBL4659042 0.91 MAPT (0.35) CYP4F2CYP4A11CHRM2CHRM1ELANE
SCHEMBL4660361 0.91 KMT2A (0.39) ESR1ESR2MEN1NPC1RAB9A
SCHEMBL4659056 0.88 ALOX5 (0.41) MEN1KMT2ASMN1; SMN2
SCHEMBL4661601 0.88 KDM4E (0.37) CYP4F2CYP4A11ADRB2ADRB1ADRB3
SCHEMBL1158253 0.87 CHRM2 (0.45) CYP4F2CYP4A11ADRB2CHRM2CHRM1
Hydrochloric Acid SCHEMBL16166428 0.86 CHRM2 (0.45) CYP4F2CYP4A11ADRB2CHRM2CHRM1
SCHEMBL4660393 0.86 MEN1 (0.36) ESR1ESR2PTGER1PTGER4PTGER3
SCHEMBL4660337 0.85 LPAR1 (0.40) ESR1ESR2
SCHEMBL11297469 0.84 CHRM2 (0.35) CYP4F2CYP4A11ADRB2CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004592-A1 SYNTHESIS OF PHENOLIC ESTERS OF HYDROXYMETHYL PHENOLS Schwarz Pharma Ltd. (IE) 2008-12-24 EP disclosed
WO-2007140986-A1 SYNTHESIS OF PHENOLIC ESTERS OF HYDROXYMETHYL PHENOLS SCHWARZ PHARMA LTD (IE) 2007-12-13 WO disclosed
EP-1077912-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2001-02-28 EP disclosed
WO-1999058478-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 1999-11-18 WO disclosed