SCHEMBL17509803

SCHEMBL17509803

CCCCCCCCCC(CCCCCCC)CCc1ccc(O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.67
▸ ADRA2A P08913 2/20 0.67
▸ ADORA3 P0DMS8 2/20 0.67
▸ TACR2 P21452 2/20 0.67
▸ SLC6A2 P23975 2/20 0.67
▸ SLC6A4 P31645 2/20 0.67
▸ SLC6A3 Q01959 2/20 0.67
▸ LMNA P02545 2/20 0.67
▸ KDM4E B2RXH2 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ SHBG P04278 1/20 0.67
▸ TP53 P04637 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ HSPD1 P10809 1/20 0.67
▸ ADRB3 P13945 1/20 0.67
▸ HTR2C P28335 1/20 0.67
▸ HSPE1 P61604 1/20 0.67
▸ HIF1A Q16665 1/20 0.67
▸ TST Q16762 1/20 0.67
▸ HSD17B10 Q99714 1/20 0.67

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
SCHEMBL980347 1.00 ESR1 (0.67) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL27893901 1.00 ESR1 (0.67) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL981151 1.00 ESR1 (0.67) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL982852 1.00 ESR1 (0.67) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL984893 1.00 ESR1 (0.67) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL23577072 1.00 ESR1 (0.67) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL983133 1.00 ESR1 (0.67) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL982302 1.00 ESR1 (0.67) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL980316 0.98 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL985612 0.93 ESR1 (0.72) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083513-A1 POLYCARBONATE RESIN FOR LIQUID CRYSTAL MEMBERS, POLYCARBONATE RESIN COMPOSITION FOR LIQUID CRYSTAL MEMBERS WHICH CONTAINS SAME, AND LIQUID CRYSTAL MEMBER IDEMITSU KOSAN CO., LTD. (JP) 2016-03-24 — — US disclosed
EP-2987816-A1 POLYCARBONATE RESIN FOR LIQUID CRYSTAL MEMBERS, POLYCARBONATE RESIN COMPOSITION FOR LIQUID CRYSTAL MEMBERS WHICH CONTAINS SAME, AND LIQUID CRYSTAL MEMBER Idemitsu Kosan Co., Ltd (JP) 2016-02-24 — — EP disclosed
CN-105143305-A Polycarbonate resin for liquid crystal member, polycarbonate resin composition for liquid crystal member containing the same, and liquid crystal member IDEMITSU KOSAN CO 2015-12-09 — — CN disclosed
Send feedback