SCHEMBL7510686

SCHEMBL7510686

Cc1c(C(=O)O)ccc2c1CCCS2(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
CYP2C9 P11712 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
RXRA P19793 2/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
CASP6 P55212 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL6895329 0.92 HAAO (0.35) LMNACYP2C9SLC22A6SLC22A8POLB
SCHEMBL7619023 0.77 CYP1A2 (0.34) ALDH1A1POLBMAPTRECQLTDP1
SCHEMBL8134119 0.75 PTK2 (0.35) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL6723758 0.74 LMNA (0.36) LMNAALDH1A1HTTKDM4EHPGD
SCHEMBL6419613 0.74 RXRA (0.46) SLC22A6SLC22A8RXRARXRBRXRG
SCHEMBL6773319 0.74 HPD (0.36)
SCHEMBL6752193 0.73 TSHR (0.39) LMNAALDH1A1POLBKDM4ECYP1A2
SCHEMBL6773040 0.73 MCL1 (0.33) CYP1A2
SCHEMBL6772652 0.72 VEGFA (0.41) CYP1A2TSHR
SCHEMBL8130863 0.72 KDM4E (0.34) LMNAALDH1A1POLBMAPTHTT

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
EP-1188376-A1 TRIKETONE DERIVATIVES AND HERBICIDES FOR LOWLAND FIELDS Idemitsu Kosan Co., Ltd. (JP) 2002-03-20 EP disclosed
US-6316390-B1 THIOCHROMENE KETONE COMPOUNDS IDEMITSU KOSAN CO., LTD. (JP) 2001-11-13 US disclosed
US-6159904-A Pyrazole derivatives IDEMITSU KOSAN CO., LTD. (JP) 2000-12-12 US disclosed
EP-1043323-A1 TRIKETONE DERIVATIVES Idemitsu Kosan Co., Ltd. (JP) 2000-10-11 EP disclosed
EP-0970956-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-01-12 EP disclosed