SCHEMBL6571752

SCHEMBL6571752

CC=CC(C)C(=O)Oc1c(-n2nc3ccc(Cl)cc3n2)cccc1C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SENP7 Q9BQF6 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
SCHEMBL2228686 0.80 MAPT (0.36) PKMKDM4ENPC1ALDH1A1RAB9A
SCHEMBL6295772 0.76 EPHX2 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL30426108 0.72 CA2 (0.42) PKMKDM4ENPC1ALDH1A1RAB9A
SCHEMBL1767326 0.72 CA2 (0.42) PKMKDM4ENPC1ALDH1A1RAB9A
Propionic Acid SCHEMBL2228683 0.72 NPC1 (0.36) PKMKDM4ENPC1ALDH1A1RAB9A
SCHEMBL10502738 0.71 ALDH1A1 (0.35) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10501802 0.70 ALDH1A1 (0.37) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2230003 0.70 NPC1 (0.50) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL9871694 0.70 ALDH1A1 (0.38) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10503537 0.70 NPC1 (0.46) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2

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-0752612-B1 Electrochromic device NIPPON MITSUBISHI OIL CORP (JP) 2004-04-21 EP disclosed
US-5859722-A Electrochromic device NIPPOM OIL CO., LTD (JP) 1999-01-12 US disclosed
EP-0752612-A1 Electrochromic device NIPPON OIL CO., LTD. (JP) 1997-01-08 EP disclosed