SCHEMBL7005030

SCHEMBL7005030

CCCC(CCCCCc1ccc(O)cc1)C(C)(C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.51
ADRA2A P08913 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
TACR2 P21452 2/20 0.51
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
SHBG P04278 1/20 0.51
TP53 P04637 1/20 0.51
HSPD1 P10809 1/20 0.51
ADRB3 P13945 1/20 0.51
HTR2C P28335 1/20 0.51
HSPE1 P61604 1/20 0.51
HIF1A Q16665 1/20 0.51
TST Q16762 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL982133 0.83 TRPV1 (0.46) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL11237254 0.83 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL7005026 0.81 BID (0.42) KDM4EHSD17B10
SCHEMBL7608542 0.80 MEN1 (0.35) ALDH1A1LMNAHIF1ASIGMAR1
SCHEMBL27980865 0.79 ESR1 (0.50) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL11177019 0.79 CSNK1E (0.41) ALDH1A1HTR2A
SCHEMBL983870 0.79 ESR1 (0.44) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL10071985 0.77 ESR1 (0.42) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL28885439 0.76 ESR1 (0.59) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL19549312 0.76 ESR1 (0.51) ESR1ADRA2AADORA3TACR2SLC6A2

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
CN-103502315-B Composition and polymer 旭化成株式会社 2016-08-17 CN disclosed
CN-105754099-A Composition and polymer 旭化成株式会社 2016-07-13 CN disclosed
EP-1268426-A1 4-FORMYL AMINO-N-METHYLPIPERIDINE DERIVATIVES, THE USE THEREOF AS STABILISERS AND ORGANIC MATERIAL STABILISED THEREWITH BASF AKTIENGESELLSCHAFT (DE) 2003-01-02 EP disclosed
WO-2001074777-A1 4-FORMYL AMINO-N-METHYLPIPERIDINE DERIVATIVES, THE USE THEREOF AS STABILISERS AND ORGANIC MATERIAL STABILISED THEREWITH BASF AKTIENGESELLSCHAFT (DE) 2001-10-11 WO disclosed