SCHEMBL8780307

SCHEMBL8780307

CCN(CC)CC(O)C(C)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
PLA2G1B P04054 1/20 0.32
PLA2G2A P14555 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ACHE P22303 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
RAD52 P43351 1/20 0.31

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
SCHEMBL16597197 0.88 PLA2G1B (0.37) TSHRNPY1RNPY2RPLA2G1BPLA2G2A
SCHEMBL20243266 0.83 ALDH1A1 (0.34) TSHRNPY1RNPY2RPLA2G1BPLA2G2A
SCHEMBL8780310 0.80 TSHR (0.35) TSHRNPY1RNPY2RPLA2G1BPLA2G2A
SCHEMBL8780328 0.79 ALDH1A1 (0.33) TSHRALDH1A1CYP2D6
SCHEMBL20243272 0.79 TSHR (0.36) TSHRNPY1RNPY2RPLA2G1BPLA2G2A
SCHEMBL17310382 0.78 CYP1A2 (0.39) TSHRCYP1A2
SCHEMBL3104259 0.78 MAPT (0.34) TSHRNPY1RNPY2RPLA2G1BPLA2G2A
SCHEMBL9637735 0.77
SCHEMBL9160 0.77
SCHEMBL15839414 0.77

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
EP-0601668-B1 Epoxy resin composition SHELL INT RESEARCH (NL) 1997-03-19 EP disclosed
EP-0601668-A2 Epoxy resin composition SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1994-06-15 EP disclosed
US-5102773-A For production of printing plates BASF AKTIENGESELLSCHAFT (DE) 1992-04-07 US disclosed
EP-0367086-A1 Light-sensitive recording material BASF Aktiengesellschaft (DE) 1990-05-09 EP disclosed