SCHEMBL4612438

SCHEMBL4612438

Cc1cccc2c1C(CCC1C=Cc3cccc(C)c31)C=C2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HTR6 P50406 1/20 0.32
TRPA1 O75762 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
MAP3K14 Q99558 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
SCHEMBL5604405 0.98 ALDH1A1 (0.33) ALDH1A1HTR6TRPA1CYP1A2CYP2A6
SCHEMBL8466721 0.82 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8765533 0.75 ALDH1A1 (0.37) ALDH1A1TRPA1CYP1A2CYP2A6HTR2C
SCHEMBL2976926 0.72 ALDH1A1 (0.39) ALDH1A1TRPA1CYP1A2CYP2A6CA1
SCHEMBL2976928 0.72 ALDH1A1 (0.39) ALDH1A1TRPA1CYP1A2CYP2A6CA1
SCHEMBL2976924 0.72 ALDH1A1 (0.39) ALDH1A1TRPA1CYP1A2CYP2A6CA1
Hydrochloric Acid SCHEMBL9440560 0.72 ALDH1A1 (0.34) ALDH1A1TRPA1CYP1A2CYP2A6CA1
Hydrochloric Acid SCHEMBL8468565 0.72 ALDH1A1 (0.34) ALDH1A1TRPA1CYP1A2CYP2A6CA1
Hydrochloric Acid SCHEMBL6939971 0.72 ALDH1A1 (0.34) ALDH1A1TRPA1CYP1A2CYP2A6HTR2A
SCHEMBL4600169 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0575123-B2 Ethylene copolymer composition MITSUI CHEMICALS INC (JP) 2008-02-13 EP disclosed
US-6894120-B2 Ethylene copolymer composition MITSUI CHEMICALS, INC. (JP) 2005-05-17 US disclosed
US-20040210004-A1 Ethylene copolymer composition TAKAHASHI MAMORU (JP) 2004-10-21 US disclosed
US-6774190-B1 LOW DENSITY POLYETHYLENE OBTAINED BY HIGH-PRESSURE FREE RADICAL POLYMERIZATION; HEAT RESISTANCE, STABILITY, MOLDABILITY, AND TRANSPARENCY; ANTI-BLOCKING RESISTANCE MITSUI CHEMICALS, INC. (JP) 2004-08-10 US disclosed
US-20030092845-A1 Ethylene copolymer composition TAKAHASHI MAMORU (JP) 2003-05-15 US disclosed
US-20020165322-A1 Ethylene copolymer composition TAKAHASHI MAMORU (JP) 2002-11-07 US disclosed
US-20020143126-A1 Ethylene resin injection molded articles TAKAHASHI MAMORU (JP) 2002-10-03 US disclosed
US-6319961-B1 ETHYLENE/ALPHA-OLEFIN COPOLYMER; DENSITY IS 0.880-0.940 G/CM3; MELT FLOW RATE AT 190 DEGREES C. UNDER A 2.16 KG LOAD IS 0.1-20 G/10 MIN MITSUI CHEMICALS INC (JP) 2001-11-20 US disclosed
EP-0575123-B1 Ethylene copolymer composition MITSUI CHEMICALS INC (JP) 2000-08-30 EP disclosed
US-5674945-A Ethylene copolymer composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-10-07 US disclosed
EP-0587365-B1 Ethylene copolymer composition MITSUI PETROCHEMICAL IND (JP) 1997-04-23 EP disclosed
US-5594071-A HEAT RESISTANCE, MOLDABILITY MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-01-14 US disclosed
US-5545785-A Process for preparing biscyclopentadienyl compounds WITCO GMBH (DE) 1996-08-13 US disclosed
US-5474716-A Process for the preparation of bridged cyclopentadienylmagnesium compounds and use thereof for preparing metallocenes WITCO GMBH (DE) 1995-12-12 US disclosed
US-5453221-A Bridged cyclopentadienylmagnesium compounds and use thereof for preparing metallocenes WITCO GMBH (DE) 1995-09-26 US disclosed
US-5371146-A A blends of ethylene-(alpha)olefins copolymers has high transparency, high strength, blocking resistance, good melt flowability and tension MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
EP-0587365-A2 Ethylene copolymer composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-03-16 EP disclosed
EP-0575123-A2 Ethylene copolymer composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-12-22 EP disclosed