SCHEMBL17175404

SCHEMBL17175404

CCC(C)c1ccc2cc(OC(C)OC3CCCCC3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.43
AKR1C3 P42330 5/20 0.36
AKR1C2 P52895 5/20 0.36
AKR1C1 Q04828 1/20 0.36
PTGS1 P23219 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL825446 0.88 ALDH1A1 (0.43) ALDH1A1TSHRKMT2ANPSR1
SCHEMBL17147968 0.88 ABCB11 (0.41) ABCB11AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL17175407 0.86 ABCB11 (0.40) ABCB11AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL2607766 0.86 ALDH1A1 (0.43) ALDH1A1TSHRKMT2ANPSR1
SCHEMBL6721652 0.86 BCHE (0.40) KMT2A
SCHEMBL11922905 0.81 ABCB11 (0.39) ABCB11AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL15503569 0.80 ABCB11 (0.35) ABCB11AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL11999042 0.80 ABCB11 (0.43) ABCB11AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL17147967 0.80 PPARA (0.36) ALDH1A1TSHRKMT2AHIF1A
SCHEMBL12054784 0.80 PDE4B (0.43) ALDH1A1HIF1A

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-20150293446-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE COMPOSITION, RESIST FILM USING THE SAME, PATTERN FORMING METHOD, METHOD FOR MANUFACTURING ELECTRONIC DEVICE, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2015-10-15 US disclosed