SCHEMBL9343294

SCHEMBL9343294

CCOC(=O)C(C)OC(=O)c1ccc(C(=O)OC(C)C(=O)OCC)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 2/20 0.40
P4HTM Q9NXG6 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39

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
SCHEMBL7276184 0.87 MAPK1 (0.49) MAPK1L3MBTL1KDM4EPOLBPKM
SCHEMBL9345658 0.85 MAPK1 (0.61) MAPK1L3MBTL1KDM4EPOLBPKM
SCHEMBL9345683 0.85 MAPK1 (0.53) MAPK1L3MBTL1KDM4EPOLBPKM
SCHEMBL9302975 0.84 POLB (0.60) L3MBTL1KDM4EPOLBPKMMAPT
SCHEMBL9302968 0.84 POLB (0.60) L3MBTL1KDM4EPOLBPKMMAPT
SCHEMBL9302681 0.80 HRH3 (0.56) MAPK1KDM4EKMT2AALDH1A1MEN1
SCHEMBL29637478 0.80 MAPK1 (0.61) MAPK1L3MBTL1KDM4EPOLBPKM
SCHEMBL1971939 0.80 MAPK1 (0.61) MAPK1L3MBTL1KDM4EPOLBPKM
SCHEMBL9341797 0.79 JMJD6 (0.43) KDM4EKMT2AALDH1A1GABRPGABRD
SCHEMBL30876053 0.79 PDCD1 (0.53) KDM4EKMT2AALDH1A1MEN1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5364873-A Influencing metabolism of collagen HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-15 US disclosed
US-5238948-A Influence metabolism of collagen or biosynthesis of C1q HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-24 US disclosed