SCHEMBL7939732

SCHEMBL7939732

O=C1C=C2C=Cc3c(ccc4ccccc34)C2C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
HSD17B10 Q99714 2/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
MTNR1A P48039 1/20 0.36
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 3/20 0.33
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33
CYP19A1 P11511 1/20 0.33
MAPK1 P28482 1/20 0.33
ANPEP P15144 1/20 0.33
PAX8 Q06710 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL29936206 0.67 NR4A1 (0.39) IDO1ALDH1A1MAPTHSD17B10HPGD
SCHEMBL20548576 0.67 P2RX4 (0.38) ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL29913613 0.65 LMNA (0.46) IDO1ALDH1A1MAPTHSD17B10MTNR1A
SCHEMBL4556947 0.65 ALDH1A1 (0.36) IDO1ALDH1A1MAPTHSD17B10PKM
SCHEMBL5859155 0.64 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL6167789 0.64 ALDH1A1 (0.35) IDO1ALDH1A1MAPTHSD17B10HPGD
SCHEMBL4556946 0.64 ACP3 (0.39) ALDH1A1MAPTHSD17B10LMNAKDM4E
SCHEMBL1505694 0.63 ANPEP (0.41) ALDH1A1HSD17B10ANPEPPAX8
SCHEMBL987554 0.62 ALDH1A1 (0.34) ALDH1A1HSD17B10HPGDKDM4E
Hydrochloric Acid SCHEMBL6230006 0.62 ALDH1A1 (0.38) IDO1ALDH1A1MAPTHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1159245-A1 SYNTHESIS OF 4-KETOCYCLOPENTENE AND CYCLOPENTADIENE COMPOUNDS THE DOW CHEMICAL COMPANY (US) 2001-12-05 EP disclosed
WO-2000051958-A1 SYNTHESIS OF 4-KETOCYCLOPENTENE AND CYCLOPENTADIENE COMPOUNDS THE DOW CHEMICAL COMPANY (US) 2000-09-08 WO disclosed