SCHEMBL7841595

SCHEMBL7841595

Cc1cc(C(=O)O)c(C)c2c1SCCC2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 2/20 0.36
PTK2 Q05397 1/20 0.35
NOTUM Q6P988 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 3/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HTT P42858 1/20 0.31
MAPK1 P28482 2/20 0.31
LMNA P02545 1/20 0.31
ADRA2B P18089 1/20 0.31
GPR35 Q9HC97 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
SCHEMBL8136278 0.85 KDM4E (0.34) KDM4EHPGDHSD17B10PTK2NOTUM
SCHEMBL8128418 0.85 KDM4E (0.33) KDM4EHPGDHSD17B10PTK2NOTUM
SCHEMBL7843121 0.84 TSHR (0.39) KDM4EHPGDHSD17B10MEN1KMT2A
SCHEMBL8135012 0.82 BRD4 (0.41) KDM4EHPGDHSD17B10GAAMEN1
SCHEMBL7841597 0.78 KDM4E (0.33) KDM4EPTK2ALDH1A1RXRARXRB
SCHEMBL8871666 0.78 KDM4E (0.34) KDM4EGAAALDH1A1RXRARXRB
SCHEMBL8871664 0.78 KDM4E (0.34) KDM4EGAAALDH1A1RXRARXRB
SCHEMBL8317930 0.78 ALDH1A1 (0.34) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL6725377 0.76 ALDH1A1 (0.32) KDM4EALDH1A1HTTMAPT
SCHEMBL8562161 0.75 KDM4E (0.31) KDM4EHPGDHSD17B10GAANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297196-B1 HETEROCYCLIC COMPOUNDS WITH KETONE GROUPS AND OXIMES, PHOSPHONATES OR PHOSPHATES HOECHST SCHERING AGREVO GMBH (DE) 2001-10-02 US disclosed
EP-1109807-A1 BENZOYL DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS Aventis CropScience GmbH (DE) 2001-06-27 EP disclosed
US-6159904-A Pyrazole derivatives IDEMITSU KOSAN CO., LTD. (JP) 2000-12-12 US disclosed
WO-2000014087-A1 BENZOYL DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS AVENTIS CROPSCIENCE GMBH (DE) 2000-03-16 WO disclosed
EP-0970956-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-01-12 EP disclosed