SCHEMBL8624980

SCHEMBL8624980

CCSCC[C@H](NN1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 2/20 0.41
▸ METAP1 P53582 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ MMP2 P08253 1/20 0.38

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
SCHEMBL29132822 0.79 KDM4E (0.57) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL30660068 0.79 KDM4E (0.57) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL29132823 0.79 KDM4E (0.57) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL2427953 0.76 GAA (0.52) MEN1KMT2AL3MBTL1ALDH1A1MMP9
SCHEMBL11360473 0.76 ALDH1A1 (0.47) MEN1KMT2AL3MBTL1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7855163 0.76 MMP2 (0.43) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL7605696 0.76 MMP2 (0.49) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL7265100 0.75 ALDH1A1 (0.56) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL7272751 0.75 ALDH1A1 (0.56) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL4955422 0.72 ALDH1A1 (0.53) MEN1KMT2AALDH1A1TP53HPGD

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-5792858-A ACYLATING LYSOSPHINGOLIPIDS AND THEIR DERIVATIVES WITH AN ALIPHATIC ACID HAVING 2 TO 24 CARBON ATOMS, SUBSTITUTED BY ONE OR MORE POLAR GROUPS; PROTEIN-KINASE INHIBITOR, USEFUL FOR NERVOUS SYSTEM DISORDER TREATMENT FIDIA S.P.A. (IT) 1998-08-11 — — US disclosed
EP-0373038-B1 New lysosphingolipid derivatives FIDIA SPA (IT) 1997-03-05 — — EP disclosed
US-5519007-A ENZYME INHIBITORS OF KINASES FOR NERVOUS SYSTEM INHIBITORS FIDIA, S.P.A. (IT) 1996-05-21 — — US disclosed
Send feedback