SCHEMBL8425577

SCHEMBL8425577

[C]1=Cc2ccccc2C1CC=Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
IDO1 P14902 2/20 0.36
PAM P19021 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTR2A P28223 4/20 0.34
GSTP1 P09211 1/20 0.34
MAOB P27338 1/20 0.32
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
OPRM1 P35372 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7790597 0.80
SCHEMBL8425581 0.69 HTR6 (0.44) ALDH1A1MAPTPOLBHPGDIDO1
SCHEMBL8427938 0.69 HTR6 (0.44) ALDH1A1MAPTPOLBHPGDIDO1
SCHEMBL1613260 0.67 ALDH1A1 (0.53) ALDH1A1MAPTPOLBHPGDIDO1
SCHEMBL27593242 0.64 ALDH1A1 (0.49) ALDH1A1MAPTPOLBHPGDIDO1
SCHEMBL18828589 0.64 ALDH1A1 (0.49) ALDH1A1MAPTPOLBHPGDIDO1
SCHEMBL10784403 0.63 KDM4E (0.54) ALDH1A1MAPTPOLBHPGDIDO1
SCHEMBL9777486 0.63 IDO1 (0.58) ALDH1A1IDO1PAMHTR2AMAOB
SCHEMBL4863423 0.63 IDO1 (0.58) ALDH1A1IDO1PAMHTR2AMAOB
SCHEMBL8429757 0.62 ALDH1A1 (0.47) ALDH1A1MAPTPOLBHPGDIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5912311-A Olefin polymerization method comprising allyl-cycloalkadienyl dianions as catalyst precursors UNIVATION TECHNOLOGIES, LLC 1999-06-15 US disclosed
US-5866497-A Catalyst for the production of olefin polymers UNIVATION TECHNOLOGIES LLC (US) 1999-02-02 US disclosed
US-5700748-A Catalyst for the production of olefin polymers comprising a bridging allyl-cyclodienyl ligand on a metal atom UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-12-23 US disclosed
EP-0771777-A1 Catalyst precursor for the production of olefin polymers UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-05-07 EP disclosed