SCHEMBL9301656

SCHEMBL9301656

CCOC(=O)CCCCc1nccnc1C#Cc1cc2c(cc1C)OCCC2(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
HNF4A P41235 1/20 0.36
TBXAS1 P24557 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 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
SCHEMBL9304033 0.86 RARA (0.39) RXRAHNF4ATBXAS1NPC1RAB9A
SCHEMBL9301685 0.86 RXRA (0.36) RXRAHNF4ATBXAS1CYP4F2CYP4A11
SCHEMBL6671507 0.84 RXRA (0.37) RXRAHNF4ATBXAS1NPC1MAPT
SCHEMBL9302045 0.83 RARA (0.41) TBXAS1CYP4F2CYP4A11RARARARB
SCHEMBL9302755 0.83 RXRA (0.37) RXRAHNF4ATBXAS1NPC1MAPT
SCHEMBL6671557 0.82 RXRA (0.36) RXRAHNF4ATBXAS1NPC1MAPT
SCHEMBL9301657 0.82 RXRA (0.34) RXRAHNF4ATBXAS1NPC1MAPT
SCHEMBL6666407 0.82 RARA (0.40) RXRAHNF4ATBXAS1NPC1MAPT
SCHEMBL6669533 0.81 RXRA (0.36) RXRAHNF4ATBXAS1NPSR1CYP4F2
SCHEMBL6665834 0.80 RXRA (0.37) RXRAHNF4AMAPTCYP4F2CYP4A11

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