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Sugi Predict / Compounds / SCHEMBL44940

SCHEMBL44940

SCHEMBL44940

CC(C)(C)c1ccc2c(c1)C([Si](C)(C)C)c1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ HPGD P15428 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35

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
SCHEMBL6435462 0.85 ALDH1A1 (0.38) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL28556575 0.84 ALDH1A1 (0.40) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL8853112 0.81 NPC1 (0.31) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL6432229 0.80 ALDH1A1 (0.35) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL6003861 0.79 ALDH1A1 (0.42) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL30885499 0.79 ALDH1A1 (0.34) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL6526472 0.78 ALDH1A1 (0.33) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL18071854 0.78 CYP1A2 (0.35) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL30719677 0.77 DYRK1A (0.52) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL9754019 0.77 ALDH1A1 (0.44) ALDH1A1NPC1RAB9APLA2G1BNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110256622-B Reinforced and toughened syndiotactic polystyrene and preparation method thereof 中国科学院长春应用化学研究所 2021-03-16 — — CN claimed
CN-110256622-B Reinforced and toughened syndiotactic polystyrene and preparation method thereof 中国科学院长春应用化学研究所 2021-03-16 — — CN disclosed
US-9142782-B2 Organic light-emitting material, device and method CAMBRIDGE DISPLAY TECHNOLOGY, LTD. (GB) 2015-09-22 — — US disclosed
US-9142782-B2 Organic light-emitting material, device and method CAMBRIDGE DISPLAY TECHNOLOGY, LTD. (GB) 2015-09-22 — — US disclosed
US-9142782-B2 Organic light-emitting material, device and method CAMBRIDGE DISPLAY TECHNOLOGY, LTD. (GB) 2015-09-22 — — US disclosed
US-20130200348-A1 ORGANIC LIGHT-EMITTING MATERIAL, DEVICE AND METHOD SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-08-08 — — US disclosed
US-20130200348-A1 ORGANIC LIGHT-EMITTING MATERIAL, DEVICE AND METHOD SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-08-08 — — US disclosed
US-20130200348-A1 ORGANIC LIGHT-EMITTING MATERIAL, DEVICE AND METHOD SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-08-08 — — US disclosed
WO-2011161417-A1 ORGANIC LIGHT-EMITTING MATERIAL DEVICE AND METHOD CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2011-12-29 — — WO disclosed
EP-0627440-B1 Metallocenes containing 9-substituted fluorenyl compounds and use of the metallocenes PHILLIPS PETROLEUM CO (US) 1999-08-18 — — EP disclosed
EP-0627440-A1 9-Substituted fluorenyl compounds and the preparation and use of metallocenes thereof PHILLIPS PETROLEUM COMPANY (US) 1994-12-07 — — EP disclosed
US-5101059-A Xanthene compounds RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-03-31 — — US disclosed
WO-1991008190-A1 AMINO ACID PROTECTING GROUPS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-06-13 — — WO disclosed