SCHEMBL20197391

SCHEMBL20197391

C=CCCCCCCCC(CCC)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.34
USP2 O75604 2/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.32
ABCC4 O15439 1/20 0.31
SPHK2 Q9NRA0 2/20 0.30
SPHK1 Q9NYA1 2/20 0.30
CETP P11597 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
SCHEMBL3116802 0.98 TSHR (0.46) TSHRALDH1A1MAPTUSP2CYP3A4
SCHEMBL29076804 0.92 TSHR (0.61) TSHRALDH1A1MAPTUSP2CYP3A4
SCHEMBL876350 0.92 TSHR (0.61) TSHRALDH1A1MAPTUSP2CYP3A4
SCHEMBL3107961 0.86 TSHR (0.46) TSHRALDH1A1MAPTUSP2CYP3A4
SCHEMBL19895218 0.86 TSHR (0.53) TSHRALDH1A1SPHK2SPHK1CETP
SCHEMBL13772820 0.84 TSHR (0.42) TSHRALDH1A1
SCHEMBL28977214 0.83 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDLMNA
SCHEMBL30274160 0.83 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDLMNA
SCHEMBL28977210 0.83 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDLMNA
SCHEMBL30274164 0.83 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDLMNA

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
EP-3327125-A1 RNA INTERFERENCE MEDIATED INHIBITION OF GENE EXPRESSION USING SHORT INTERFERING NUCLEIC ACIDS (SINA) Sirna Therapeutics, Inc. (US) 2018-05-30 EP disclosed