SCHEMBL9510326

SCHEMBL9510326

CC(=C(CC(=O)O)C(=O)O)C1COC(=O)O1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MTNR1A P48039 1/20 0.30

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
SCHEMBL10697609 0.84
SCHEMBL4432419 0.78
SCHEMBL285102 0.78
SCHEMBL1695186 0.69
SCHEMBL15074706 0.69 RAB9A (0.36) HPGDHTTALDH1A1RAB9AKDM4E
SCHEMBL1695183 0.67 NPC1 (0.39) HPGDHTTMEN1KMT2AALDH1A1
SCHEMBL22127290 0.67 HPGD (0.30) HPGDHTT
SCHEMBL15799592 0.65 ITGB3 (0.41) HPGDHTTALDH1A1RAB9AKDM4E
SCHEMBL19112078 0.65 POLB (0.38) HPGDHTTMEN1KMT2AALDH1A1
SCHEMBL22604966 0.65 USP2 (0.43) HPGDALDH1A1RAB9A

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
EP-0274721-B1 POLYMERS CONTAINING AMINO GROUPS, THEIR MANUFACTURE AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-15 EP disclosed
EP-0272664-B1 CURABLE MIXTURES AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-27 EP disclosed
EP-0272664-A2 Curable mixtures and their use HOECHST AKTIENGESELLSCHAFT (DE) 1988-06-29 EP disclosed