SCHEMBL11142447

SCHEMBL11142447

CNC(C)C(OCC(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 9/20 0.47
▸ CYP3A4 P08684 4/20 0.47
▸ TSHR P16473 2/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ RGS12 O14924 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ GNAI1 P63096 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 1/20 0.46

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
SCHEMBL5867158 0.80 HTR2A (0.48) CYP2D6CYP3A4TSHRCHRM2ADRA1A
SCHEMBL3766657 0.79 CYP2D6 (0.46) CYP2D6CYP3A4TSHRCHRM2ADRA1A
Hydrochloric Acid SCHEMBL6240205 0.78 KMT2A (0.50) CYP2D6CYP3A4TSHRCHRM2ADRA1A
SCHEMBL14771667 0.77 ALDH1A1 (0.51) CYP2D6CYP3A4TSHRCHRM2ADRA1A
Acetic Acid SCHEMBL11356631 0.77 ALDH1A1 (0.55) CYP2D6CYP3A4TSHRCHRM2ADRA1A
SCHEMBL4650189 0.77 ALDH1A1 (0.51) CYP2D6CYP3A4TSHRCHRM2ADRA1A
SCHEMBL14771663 0.77 ALDH1A1 (0.51) CYP2D6CYP3A4TSHRCHRM2ADRA1A
SCHEMBL14771654 0.76 TSHR (0.46) CYP2D6CYP3A4TSHRCHRM2ADRA1A
SCHEMBL11142451 0.76 TSHR (0.46) CYP2D6CYP3A4TSHRCHRM2ADRA1A
SCHEMBL14578027 0.76 ALOX15 (0.42) ALOX15ADRA2CALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4376825-A ENZYME-BOUND LIGANDS WITH FREE REACTIVE SITES WHICH CAN BIND RECEPTORS SYVA COMPANY (US) 1983-03-15 — — US disclosed
US-4282325-A FOR AMPLIFICATION IN ASSAYS SYVA COMPANY (US) 1981-08-04 — — US disclosed
US-4190496-A RECEPTOR, LIGAND, AND ENZYME-BOUND SYVA COMPANY (US) 1980-02-26 — — US disclosed
US-4067774-A Compounds for enzyme amplification assay SYVA COMPANY (US) 1978-01-10 — — US disclosed
US-3966764-A ELECTRON SPIN RESONANCE SYVA COMPANY (US) 1976-06-29 — — US disclosed
US-3966556-A Compounds for enzyme amplification assay methadone analogs SYVA COMPANY (US) 1976-06-29 — — US disclosed
US-3966744-A Spin labeled compounds SYVA COMPANY (US) 1976-06-29 — — US disclosed
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