SCHEMBL98883

SCHEMBL98883

CC(C)(C)c1cc(Cn2c(=O)n(Cc3cc(C(C)(C)C)c(O)cc3C(C)(C)C)c(=O)n(Cc3cc(C(C)(C)C)c(O)cc3C(C)(C)C)c2=O)c(C(C)(C)C)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
ALOX15 P16050 5/20 0.52
KDM4E B2RXH2 5/20 0.52
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 2/20 0.52
ATP2A2 P16615 1/20 0.52
ATP2A3 Q93084 1/20 0.52
GAA P10253 3/20 0.45
TP53 P04637 3/20 0.41
CYP3A4 P08684 3/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
CYP2C9 P11712 2/20 0.36
NR1I2 O75469 1/20 0.36
MIF P14174 1/20 0.36
TYR P14679 1/20 0.36
HTT P42858 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL11295780 0.83 ALOX15 (0.44) ALDH1A1ALOX15KDM4EMAPTSMN1; SMN2
SCHEMBL8670928 0.77 ALDH1A1 (0.65) ALDH1A1ALOX15KDM4EMAPTSMN1; SMN2
SCHEMBL5155008 0.76 ALDH1A1 (0.48) ALDH1A1ALOX15KDM4EMAPTSMN1; SMN2
SCHEMBL3628725 0.75 ALOX15 (0.68) ALDH1A1ALOX15KDM4EMAPTSMN1; SMN2
SCHEMBL30501539 0.74 ALDH1A1 (0.60) ALDH1A1ALOX15KDM4EMAPTSMN1; SMN2
SCHEMBL11007029 0.74 ALDH1A1 (0.65) ALDH1A1ALOX15KDM4EMAPTSMN1; SMN2
SCHEMBL20592335 0.73 CA2 (0.37) ALDH1A1KDM4EMAPTSMN1; SMN2CYP1A2
SCHEMBL388162 0.73 ALDH1A1 (0.39) ALDH1A1ALOX15KDM4EMAPTSMN1; SMN2
SCHEMBL29013803 0.73 ALDH1A1 (0.44) ALDH1A1ALOX15KDM4EMAPTSMN1; SMN2
SCHEMBL31375 0.73 ALDH1A1 (0.57) ALDH1A1ALOX15KDM4EMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0310393-B1 Olefin polymer compositions for use with water systems SHELL OIL CO (US) 1995-01-18 EP claimed
CN-108102313-A A kind of dyeing polyester master batch and its production technology 苏州市苏宏塑料有限公司 2018-06-01 CN disclosed
US-20120108732-A1 DISPERSION LIQUID OF CHEMICAL FOR RUBBERS, METHOD FOR PRODUCING SAME, RUBBER WET MASTER BATCH CONTAINING CHEMICAL FOR RUBBERS, RUBBER COMPOSITION, AND TIRE BRIDGESTONE CORPORATION (JP) 2012-05-03 US disclosed
EP-2426170-A1 DISPERSION LIQUID OF CHEMICAL FOR RUBBERS, METHOD FOR PRODUCING SAME, RUBBER WET MASTER BATCH CONTAINING CHEMICAL FOR RUBBERS, RUBBER COMPOSITION, AND TIRE Bridgestone Corporation (JP) 2012-03-07 EP disclosed
US-4904712-A PHOTOSTABILIZERS/AGENTS/ CIBA-GEIGY CORPORATION (US) 1990-02-27 US disclosed
EP-0128368-B1 2,4,6-TRIS(SUBSTITUTED PHENOXY)-1,3,5,2,4,6-TRIOXATRIPHOSPHORINANES The B.F. GOODRICH Company (US) 1987-08-12 EP disclosed