SCHEMBL7171027

SCHEMBL7171027

C1=CCC([Zr](Cc2ccccc2)(Cc2ccccc2)(Cc2ccccc2)CC2CCCCC2)=C1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PPM1D O15297 1/20 0.34
SIGMAR1 Q99720 7/20 0.33
EPHX2 P34913 2/20 0.33
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
ATM Q13315 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL28465804 0.72 SMN1; SMN2 (0.32) SIGMAR1EPHX2MEN1KMT2A
SCHEMBL7173372 0.72
SCHEMBL7595620 0.71 TP53 (0.32)
Hydrochloric Acid SCHEMBL5084137 0.70
SCHEMBL21044988 0.69 TP53 (0.31) HPGDHSD17B10ALDH1A1
Toluene SCHEMBL28961349 0.69
Hydrochloric Acid SCHEMBL7205877 0.68 KDM4E (0.31)
SCHEMBL28474300 0.67
SCHEMBL28465794 0.67 TAAR1 (0.32) SIGMAR1MEN1KMT2A
Bromide SCHEMBL8380336 0.67 IDO1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502683-B2 Catalyst composition for preparation of syndiotactic vinyl aromatic polymers DOW CHEMICAL CO (US) 2003-04-02 EP disclosed
US-5886117-A Process using borane derived catalysts for preparation of syndiotactic vinyl aromatic polymers THE DOW CHEMICAL COMPANY (US) 1999-03-23 US disclosed
EP-0742226-B1 Process for preparing borane derived catalysts for preparation of syndiotactic vinyl aromatic polymers DOW CHEMICAL CO (US) 1998-12-02 EP disclosed
EP-0742226-A2 Process for preparing borane derived catalysts for preparation of syndiotactic vinyl aromatic polymers THE DOW CHEMICAL COMPANY (US) 1996-11-13 EP disclosed
EP-0502683-B1 Catalyst composition for preparation of syndiotactic vinyl aromatic polymers DOW CHEMICAL CO (US) 1996-07-17 EP disclosed
EP-0421659-B1 Process for preparation of syndiotactic vinyl aromatic polymers DOW CHEMICAL CO (US) 1996-07-10 EP disclosed
US-5206197-A CATALYST COMPOSITION FOR PREPARATION OF SYNDIOTACTIC VINYL AROMATIC POLYMERS THE DOW CHEMICAL COMPANY (US) 1993-04-27 US disclosed
EP-0502683-A1 Catalyst composition for preparation of syndiotactic vinyl aromatic polymers THE DOW CHEMICAL COMPANY (US) 1992-09-09 EP disclosed
US-5066741-A Contacting monomers with complex catalyst THE DOW CHEMICAL COMPANY (US) 1991-11-19 US disclosed
EP-0421659-A2 Process for preparation of syndiotactic vinyl aromatic polymers THE DOW CHEMICAL COMPANY (US) 1991-04-10 EP disclosed