Sugi Predict

Sugi Predict / Compounds / SCHEMBL17658796

SCHEMBL17658796

SCHEMBL17658796

C=C(C)C(=O)OCCOC(=O)NC1CC(C)(C)CC(C)(CNC(=O)CCOC(=O)NCC2(C)CC(NC(=O)OCCOC(=O)C(=C)C)CC(C)(C)C2)C1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ EPHX1 P07099 1/20 0.41
▸ THRB P10828 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL18776183 0.95 TSHR (0.51) TSHREPHX1
SCHEMBL25993934 0.94 TSHR (0.63) TSHREPHX1THRBALDH1A1
SCHEMBL11900914 0.94 TSHR (0.63) TSHREPHX1THRBALDH1A1
SCHEMBL18193278 0.91 TSHR (0.47) TSHREPHX1THRB
SCHEMBL18193277 0.91 TSHR (0.57) TSHREPHX1THRBALDH1A1
SCHEMBL18123399 0.90 TSHR (0.59) TSHREPHX1THRBALDH1A1
SCHEMBL18123485 0.90 TSHR (0.59) TSHREPHX1THRBALDH1A1
SCHEMBL18193272 0.89 TSHR (0.58) TSHREPHX1THRBALDH1A1
SCHEMBL21034804 0.89 TSHR (0.61) TSHREPHX1THRBALDH1A1
SCHEMBL19847425 0.89 TSHR (0.61) TSHREPHX1THRBALDH1A1

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
US-9724850-B2 Method of manufacturing an artificial elastic implant for restorative an reconstructive surgery ICONLAB, USA, INC. (US) 2017-08-08 — — US disclosed
US-20160096292-A1 Method of Manufacturing an Artificial Elastic Implant for Restorative an Reconstructive Surgery ICONLAB, USA, INC. 2016-04-07 — — US disclosed