SCHEMBL4440020

SCHEMBL4440020

CCCC(F)OC(=O)N1CCC(Oc2ccc(C(=O)O)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.49
SRD5A2 P31213 1/20 0.46
EPHX2 P34913 2/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2J2 P51589 1/20 0.42
SSTR5 P35346 1/20 0.41
F10 P00742 6/20 0.41
F2 P00734 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
PLG P00747 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40

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
SCHEMBL4441455 0.86 SLC6A2 (0.46) EPHX2LMNAKMT2AHRH3
SCHEMBL5544755 0.77 USP30 (0.58) SRD5A1SRD5A2EPHX2ALDH1A1KMT2A
SCHEMBL240368 0.77 USP30 (0.58) SRD5A1SRD5A2EPHX2ALDH1A1KMT2A
SCHEMBL5545000 0.77 USP30 (0.58) SRD5A1SRD5A2EPHX2ALDH1A1KMT2A
SCHEMBL14558058 0.76 NAMPT (0.56) SRD5A1SRD5A2EPHX2CYP2C9CYP2J2
SCHEMBL14610952 0.76 SRD5A1 (0.51) SRD5A1SRD5A2EPHX2CYP2C9CYP2J2
SCHEMBL4448676 0.74 DRD2 (0.46) ALDH1A1KMT2A
SCHEMBL1580337 0.73 GAA (0.60) SRD5A1SRD5A2ALDH1A1LMNAKMT2A
SCHEMBL22664149 0.73 ALDH1A1 (0.55) SRD5A1SRD5A2EPHX2ALDH1A1LMNA
SCHEMBL17869370 0.73 ALDH1A1 (0.55) SRD5A1SRD5A2EPHX2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010479-A1 11 BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS High Point Pharmaceuticals, LLC (US) 2009-01-07 EP disclosed
WO-2007115935-A1 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC (US) 2007-10-18 WO disclosed