SCHEMBL9301657

SCHEMBL9301657

CCOC(=O)CCCCc1cncc(C#Cc2cc3c(cc2C)OCCC3(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.34
HNF4A P41235 1/20 0.34
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TBXAS1 P24557 1/20 0.32
CYP3A4 P08684 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL6671557 0.88 RXRA (0.36) RXRAHNF4ANPC1MAPTSMN1; SMN2
SCHEMBL9304041 0.87 RARA (0.41) RXRAHNF4ANPC1MAPTSMN1; SMN2
SCHEMBL6669533 0.87 RXRA (0.36) RXRAHNF4ANPSR1TBXAS1CYP3A4
SCHEMBL9302053 0.84 CYP3A4 (0.43) TBXAS1CYP3A4RARARARBRARG
SCHEMBL9301689 0.84 RXRA (0.35) RXRAHNF4ANPC1MAPTSMN1; SMN2
SCHEMBL6666407 0.84 RARA (0.40) RXRAHNF4ANPC1MAPTSMN1; SMN2
SCHEMBL6671507 0.83 RXRA (0.37) RXRAHNF4ANPC1MAPTSMN1; SMN2
SCHEMBL9302755 0.83 RXRA (0.37) RXRAHNF4ANPC1MAPTSMN1; SMN2
SCHEMBL9302057 0.82 NPC1 (0.33) NPC1MAPTSMN1; SMN2RXFP1RAB9A
SCHEMBL9301656 0.82 RXRA (0.36) RXRAHNF4ANPC1MAPTSMN1; SMN2

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-5354752-A A dimethylthiochroman or dimethylchroman-6-yl-ethynyl-pyridazin- or pyrimidin- or pyrazin-for treating skin disorders psoriasis ALLERGAN, INC. (US) 1994-10-11 US claimed