SCHEMBL7197012

SCHEMBL7197012

CCCCCCCCCCCCCCCCCCNC(=O)CCc1ccc(O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.73
ESR1 P03372 2/20 0.57
ADRA2A P08913 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
TACR2 P21452 2/20 0.57
SLC6A2 P23975 2/20 0.57
SLC6A4 P31645 2/20 0.57
SLC6A3 Q01959 2/20 0.57
HSD17B10 Q99714 2/20 0.57
CASP2 P42575 1/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
SHBG P04278 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
HSPD1 P10809 1/20 0.57
ADRB3 P13945 1/20 0.57
HTR2C P28335 1/20 0.57
HSPE1 P61604 1/20 0.57

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
SCHEMBL7888252 1.00 HPGD (0.73) HPGDESR1ADRA2AADORA3TACR2
SCHEMBL8387272 1.00 HPGD (0.73) HPGDESR1ADRA2AADORA3TACR2
SCHEMBL7201453 1.00 HPGD (0.73) HPGDESR1ADRA2AADORA3TACR2
SCHEMBL423695 0.94 HPGD (0.68) HPGDHSD17B10KDM4ELMNATRPV1
SCHEMBL11367962 0.94 HPGD (0.82) HPGDHSD17B10CASP2TRPV1MEN1
SCHEMBL8646182 0.92 HPGD (0.63) HPGDESR1ADRA2AADORA3TACR2
SCHEMBL7194125 0.91 ESR1 (0.63) HPGDESR1ADRA2AADORA3TACR2
SCHEMBL7193335 0.91 ESR1 (0.63) HPGDESR1ADRA2AADORA3TACR2
SCHEMBL8366228 0.91 HSD17B10 (0.69) HPGDHSD17B10KDM4ELMNATP53
SCHEMBL7193607 0.91 ESR1 (0.63) HPGDESR1ADRA2AADORA3TACR2

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-6596669-B1 Comprising a support and two reversible heat-sensitive recording layers having different colors formed on the same side of the support, comprising colorless electron-donative dye precursor and an electron-accepting compound MITSUBISHI PAPER MILLS LIMITED (JP) 2003-07-22 US disclosed
US-6004899-A SURFACE TREATED WITH SILANE, TITANATE, AND/OR ALUMINUM COUPLING AGENT; PIGMENT; ERASIBILITY MITSUBISHI PAPER MILLS LIMITED (JP) 1999-12-21 US disclosed
US-4427649-A A CORTICOSTEROID HAVING AN 11-HYDROXY GROUP AND A 21-LIPOPHILIC ESTER GROUP IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1984-01-24 US disclosed