SCHEMBL8016591

SCHEMBL8016591

CCC(c1ccc(C(C)(C)C)cc1)C(OB(O)O)(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRIA4 P48058 3/20 0.35
HSD17B10 Q99714 2/20 0.34
NR1H4 Q96RI1 3/20 0.33
EPHX2 P34913 2/20 0.33
TYR P14679 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
ALOX15 P16050 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32

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
SCHEMBL29157607 0.88 ALDH1A1 (0.32) LMNASMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL8016587 0.87 GRIA4 (0.36) LMNASMN1; SMN2GRIA4HSD17B10TYR
SCHEMBL1618141 0.86 MIF (0.38) SMN1; SMN2CYP1A2TSHRCYP2C19ALDH1A1
SCHEMBL8006470 0.86 LMNA (0.33) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25409960 0.85 LMNA (0.39) LMNASMN1; SMN2GRIA4HSD17B10NR1H4
SCHEMBL532851 0.83 LMNA (0.39) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
Tetramethylammonium Ion SCHEMBL2849788 0.82 MIF (0.35) SMN1; SMN2TSHRALDH1A1MAPK1TDP1
SCHEMBL3623440 0.81 LMNA (0.38) LMNACYP1A2CYP3A4CYP2C9TSHR
Ammonia Solution, Strong SCHEMBL8366918 0.81 LMNA (0.38) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL7747171 0.81 LMNA (0.38) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2182701-A None JP disclosed
US-6096794-A PHOTOINITIATOR SYSTEM FOR PHOTOPOLYMERIZATION OF ETHYLENICALLY UNSATURATED POLYMERIZABLE COMPOUNDS CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-08-01 US disclosed
US-6090865-A PHOTOINITIATOR SYSTEM COMPRISING (A) AT LEAST ONE O-ALKYLATED AROMATIC NITROGEN-HETEROCYCLE AMINE OXIDE CATION SALT AND (B) AT LEAST ONE ELECTRON DONOR COMPOUND. CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-07-18 US disclosed
EP-0896587-A1 POLYMERISABLE COMPOSITION Ciba SC Holding AG (CH) 1999-02-17 EP disclosed
WO-1997042227-A1 POLYMERISABLE COMPOSITION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1997-11-13 WO disclosed
EP-0368629-B1 Photoinitiators and photosensitive compositions containing such photoinitiators CYCOLOR INC (US) 1997-08-06 EP disclosed
US-4954414-A Photosensitive composition containing a transition metal coordination complex cation and a borate anion and photosensitive materials employing the same THE MEAD CORPORATION (US) 1990-09-04 US disclosed
JP-H02182701-A PHOTOSENSITIVE COMPOSITION CONTAINING TRANSITION METAL COORDINATION COMPLEX CATION AND BORATE ANION, AND PHOTOSENSITIVE MATERIAL USING IT MEAD CORP:THE 1990-07-17 JP disclosed
EP-0368629-A2 Photoinitiators and photosensitive compositions containing such photoinitiators THE MEAD CORPORATION (US) 1990-05-16 EP disclosed