SCHEMBL8418601

SCHEMBL8418601

COC(=O)CCCC(=O)c1cc(C(=O)OC)ccc1NC(=O)CC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.50
▸ KDM4E B2RXH2 5/20 0.50
▸ MAPT P10636 5/20 0.50
▸ HSD17B10 Q99714 4/20 0.50
▸ GAA P10253 1/20 0.50
▸ HPGD P15428 3/20 0.48
▸ KMT2A Q03164 6/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ LMNA P02545 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ DNMT1 P26358 1/20 0.43
▸ TSHR P16473 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ POLB P06746 1/20 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
SCHEMBL8768510 0.97 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTHSD17B10GAA
SCHEMBL8422543 0.79 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTHSD17B10GAA
SCHEMBL8420351 0.79 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTHSD17B10GAA
SCHEMBL8768544 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL11382433 0.74 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTHSD17B10GAA
SCHEMBL28942209 0.74 CA12 (0.56) ALDH1A1KDM4EMAPTHSD17B10GAA
SCHEMBL11582850 0.72 CA12 (0.56) ALDH1A1KDM4EMAPTHSD17B10GAA
SCHEMBL16197954 0.72 MAPT (0.57) ALDH1A1KDM4EMAPTHSD17B10GAA
SCHEMBL16651569 0.71 KMT2A (0.53) ALDH1A1KDM4EMAPTHSD17B10GAA
SCHEMBL7745405 0.71 MAPT (0.58) ALDH1A1KDM4EMAPTHSD17B10GAA

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-5872280-A RESPIRATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1999-02-16 — — US disclosed
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