SCHEMBL9657653

SCHEMBL9657653

COc1cc(OC(=O)OCc2ccccc2)c2cc(Cl)ccc2c1OC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ABCB11 O95342 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 3/20 0.40
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40

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
SCHEMBL9656962 0.88 MEN1 (0.45) MEN1KMT2ASMN1; SMN2HTTGFER
SCHEMBL9656747 0.88 KMT2A (0.42) MEN1KMT2AL3MBTL1HTTGFER
SCHEMBL9654914 0.86 ABCB11 (0.59) MEN1KMT2AL3MBTL1ABCB11SMN1; SMN2
SCHEMBL9657969 0.84 MRGPRX4 (0.45) MEN1KMT2ASMN1; SMN2HTTGFER
SCHEMBL9658170 0.83 ABCB11 (0.46) MEN1KMT2AL3MBTL1ABCB11HTT
SCHEMBL9659120 0.83 SMN1; SMN2 (0.46) MEN1KMT2AL3MBTL1SMN1; SMN2HTT
SCHEMBL9658201 0.82 ABCB11 (0.45) MEN1KMT2AABCB11SMN1; SMN2TUBB4A
SCHEMBL9658516 0.81 KMT2A (0.44) MEN1KMT2AL3MBTL1ABCB11TUBB4A
SCHEMBL9657625 0.79 MEN1 (0.46) MEN1KMT2ASMN1; SMN2
SCHEMBL9656702 0.79 ABCB11 (0.41) MEN1KMT2AL3MBTL1ABCB11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5134161-A Enzyme inhibitors for skin disorders, antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-07-28 US disclosed
US-4786652-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1988-11-22 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed