SCHEMBL7940308

SCHEMBL7940308

CC1=Cc2c(-c3ccc4ccccc4c3)cccc2C1[Zr]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.44
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DHFR P00374 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
MET P08581 1/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL27473458 0.96 GSTP1 (0.41) GSTP1HDAC4HDAC2HDAC8SLC6A2
Hydrochloric Acid SCHEMBL7601708 0.82 GSTP1 (0.39) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL4603520 0.82 PDCD1 (0.36) ALDH1A1HPGDHSD17B10CYP2A6TDP1
SCHEMBL27485116 0.82 EDNRB (0.34) ALDH1A1
SCHEMBL27485115 0.81 CHEK1 (0.35) ALDH1A1SMN1; SMN2HSD17B10METADORA1
SCHEMBL3159292 0.81 GSTP1 (0.38) GSTP1HDAC4HDAC2HDAC8SLC6A2
Hydrochloric Acid SCHEMBL29612316 0.81 GSTP1 (0.38) GSTP1HDAC4HDAC2HDAC8SLC6A2
Hydrochloric Acid SCHEMBL5952828 0.81 GSTP1 (0.38) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL28941567 0.81 GSTP1 (0.38) GSTP1HDAC4HDAC2HDAC8SLC6A2
Hydrochloric Acid SCHEMBL5695379 0.80 PDCD1 (0.35) ALDH1A1HPGDHSD17B10CYP2A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1191283-C Nonconjugated cyclic polyene copolymer, rubber composition, and use MITSUI CHEMICALS INC (JP) 2005-03-02 CN disclosed
CN-1155629-C Unsaturated copolymers, processes for preparing same, and compositions containing the same 三井化学株式会社 2004-06-30 CN disclosed
CN-1327454-A Unconjugated cyclopolyene copolymer, rubber composition, and use MITSUI CHEMICALS INC (JP) 2001-12-19 CN disclosed
EP-1133503-A1 METHOD FOR THE PURIFICATION OF METALLOCENES Basell Polyolefine GmbH (DE) 2001-09-19 EP disclosed
WO-2000031089-A1 METHOD FOR THE PURIFICATION OF METALLOCENES BASELL POLYOLEFINE GMBH (DE) 2000-06-02 WO disclosed
US-6051727-A A POLYMERIZATION CATALYST FOR POLYOLEFINS OF HIGH MOLECULAR WEIGHT, OF PARTICULAR IMPORTANCE FOR THE PRODUCTION OF FILMS, SHEETS OR LARGE HOLLOW ARTICLES OR MOLDINGS SUCH AS PIPES TARGOR GMBH (DE) 2000-04-18 US disclosed
CN-1206017-A Unsaturated copolymers, processes for preparing same, and compositions containing the same MITSUI CHEMICALS INC (JP) 1999-01-27 CN disclosed
CN-1171097-A Norbornene compound having chain polyene group and unsaturated ethylene copolymer prepared using the same MITSUI PETROCHEMICAL IND (JP) 1998-01-21 CN disclosed