Sugi Predict

Sugi Predict / Compounds / SCHEMBL11234878

SCHEMBL11234878

SCHEMBL11234878

CC=C(C)C(=O)OCCC(O)CCC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ FAAH O00519 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.30
▸ FFAR1 O14842 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
SCHEMBL11234875 1.00 TSHR (0.33) TSHRCYP2D6CYP2C19FAAHALDH1A1
SCHEMBL4528595 0.90 TSHR (0.39) TSHRCYP2D6CYP2C19FAAHALDH1A1
SCHEMBL9779516 0.87 FFAR1 (0.47) TSHRFAAHFFAR4FFAR1
SCHEMBL9779347 0.87 FFAR1 (0.47) TSHRFAAHFFAR4FFAR1
SCHEMBL9779297 0.87 FFAR1 (0.47) TSHRFAAHFFAR4FFAR1
SCHEMBL9779321 0.87 FFAR1 (0.47) TSHRFAAHFFAR4FFAR1
SCHEMBL9779418 0.87 FFAR1 (0.47) TSHRFAAHFFAR4FFAR1
SCHEMBL2051881 0.86 CYP2D6 (0.32) TSHRCYP2D6CYP2C19
SCHEMBL2051882 0.86 CYP2D6 (0.32) TSHRCYP2D6CYP2C19
SCHEMBL20585037 0.81 TSHR (0.45) TSHRFAAHALDH1A1FFAR4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4353818-A GRAFT CATIONIC COPOLYMERS; FILLERS FOR PAPER HERCULES INCORPORATED (US) 1982-10-12 — — US disclosed