SCHEMBL9988820

SCHEMBL9988820

Cc1ccccc1C(=O)C=C(C#N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
PKM P14618 2/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR52 Q9Y2T5 1/20 0.43
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MCL1 Q07820 1/20 0.39
CISD1 Q9NZ45 1/20 0.39
SLC16A3 O15427 1/20 0.39
CYP3A4 P08684 1/20 0.39
SLC16A1 P53985 1/20 0.39
GPR35 Q9HC97 1/20 0.39
EGFR P00533 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
SCHEMBL3311627 0.78 GPR52 (0.49) KDM4ELMNAKMT2AGPR52ERCC5
SCHEMBL3311630 0.78 GPR52 (0.49) KDM4ELMNAKMT2AGPR52ERCC5
SCHEMBL3311666 0.78 GPR52 (0.49) KDM4ELMNAKMT2AGPR52ERCC5
SCHEMBL11435556 0.78 NFE2L2 (0.53) KDM4EPKMLMNAKMT2AHPGD
SCHEMBL11435558 0.78 NFE2L2 (0.53) KDM4EPKMLMNAKMT2AHPGD
SCHEMBL12173470 0.73 KDM4E (0.65) KDM4EPKMLMNAKMT2AHPGD
SCHEMBL8350519 0.73 GPR52 (0.47) KDM4ELMNAGPR52ERCC5FEN1
SCHEMBL38659501 0.73 MCL1 (0.57) KDM4EPKMLMNAKMT2AHPGD
Water SCHEMBL28576170 0.71 GPR52 (0.49) KDM4ELMNAGPR52ERCC5FEN1
Toluic Acid SCHEMBL28141664 0.71 ALDH1A1 (0.55) KDM4ELMNAKMT2AERCC5FEN1

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-20110319944-A1 Submuscular Facial Fixation (Myo-Osseous Fixation) Using Microincision Microscrew Device, Injectable Glues and Adhesives, and Method and Device for Therapy of Migraine and Related Headaches BORODIC GARY E (US) 2011-12-29 US disclosed