SCHEMBL10348982

SCHEMBL10348982

C=C(C)C(=O)OCC.CCCCCCCCN

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
DNM1 Q05193 8/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
EPHX1 P07099 1/20 0.46
THRB P10828 1/20 0.46
CYP1A2 P05177 1/20 0.44
FAAH O00519 2/20 0.42
CPB2 Q96IY4 1/20 0.42

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
SCHEMBL9639706 1.00 TSHR (0.62) TSHRDNM1MEN1KMT2AALDH1A1
Butylamine SCHEMBL3285128 0.93 TSHR (0.56) TSHRALDH1A1THRBCYP1A2FAAH
Decane SCHEMBL27941727 0.91 TSHR (0.74) TSHRMEN1KMT2AALDH1A1THRB
Hexadecane SCHEMBL28334360 0.89 TSHR (0.71) TSHRMEN1KMT2AALDH1A1THRB
Propylamine SCHEMBL3280862 0.87 THRB (0.53) TSHRALDH1A1THRBCYP1A2
Hexadecylamine SCHEMBL28387490 0.86 TSHR (0.74) TSHRDNM1MEN1KMT2AALDH1A1
Ethylenediamine SCHEMBL4650024 0.85 THRB (0.61) TSHRALDH1A1THRBCYP1A2
SCHEMBL9518387 0.84 TSHR (0.89) TSHRALDH1A1EPHX1THRBFAAH
SCHEMBL17435240 0.84 TSHR (0.89) TSHRALDH1A1EPHX1THRBFAAH
Ethylamine SCHEMBL4364175 0.82 THRB (0.57) TSHRALDH1A1THRBCYP1A2

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
EP-0187137-B1 COLORED CONTACT LENSES AND METHOD FOR MAKING SAME SCHERING CORPORATION (US) 1990-07-11 EP disclosed
US-4668240-A COATING POLYMER LENS WITH COLORANT, BINDER POLYMER; ISOCYANATES, EPOXIDES SCHERING CORPORATION (US) 1987-05-26 US disclosed
EP-0187137-A2 Colored contact lenses and method for making same SCHERING CORPORATION (US) 1986-07-09 EP disclosed