SCHEMBL647119

SCHEMBL647119

C=C(C)C(=O)Oc1sccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
GSK3B P49841 1/20 0.36
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
GAA P10253 2/20 0.34
PPARG P37231 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 2/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL27673491 0.81 LMNA (0.42) SMN1; SMN2HPGDGSK3BALDH1A1NPC1
SCHEMBL27830742 0.81 KMT2A (0.41) ELANEKMT2AATMALDH1A1GAA
SCHEMBL9351950 0.79 GSK3B (0.41) SMN1; SMN2KMT2AHPGDGSK3BNPC1
SCHEMBL28339384 0.76 KMT2A (0.48) ELANEKMT2AHPGDALDH1A1GAA
SCHEMBL3137968 0.75 ELANE (0.36) ELANEKMT2AATMALDH1A1
SCHEMBL10804734 0.74 HPGD (0.41) SMN1; SMN2KMT2AHPGDGSK3BALDH1A1
SCHEMBL28750284 0.73 ACHE (0.41) ELANESMN1; SMN2KMT2AHPGDGSK3B
SCHEMBL9076071 0.71 ELANE (0.36) ELANEKMT2AATMALDH1A1
SCHEMBL7079234 0.71 KMT2A (0.40) ELANEKMT2AATMALDH1A1NPC1
SCHEMBL29225292 0.70 ELANE (0.38) ELANEKMT2AATMALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119392-B2 Biocompatible resists THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2012-02-21 US disclosed
US-20050014098-A1 Biocompatible resists NORTH CAROLINA AT CHARLOTTE, THE UNIVERSITY OF 2005-01-20 US disclosed
WO-2004099373-A2 BIOCOMPATIBLE RESISTS UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2004-11-18 WO disclosed
EP-0358524-A2 Optical material composed of resin having high refractive index NIPPON SHOKUBAI KAGAKU KOGYO CO. LTD. (JP) 1990-03-14 EP disclosed