SCHEMBL932909

SCHEMBL932909

CC(=O)OCc1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
ALOX15 P16050 2/20 0.50
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
CYP2C9 P11712 1/20 0.50
MIF P14174 1/20 0.50
TYR P14679 1/20 0.50
HTT P42858 1/20 0.50
NFE2L2 Q16236 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP3A4 P08684 1/20 0.49
ESRRA P11474 2/20 0.47
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 0.44
CA2 P00918 1/20 0.44
ATM Q13315 2/20 0.43
GAA P10253 2/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL28407520 0.84 ALDH1A1 (0.47) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL12715355 0.82 ALDH1A1 (0.49) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL9706399 0.82 ALDH1A1 (0.45) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL931514 0.81 ALDH1A1 (0.51) ALDH1A1ALOX15LMNACYP2C9TYR
SCHEMBL931516 0.81 CYP3A4 (0.47) ALDH1A1LMNACYP3A4CA2GAA
SCHEMBL7092605 0.81 CYP3A4 (0.56) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL8011527 0.81 GSTP1 (0.44) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL11034257 0.80 ALDH1A1 (0.46) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL8000447 0.80 ALDH1A1 (0.42) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL2564784 0.80 ALDH1A1 (0.57) ALDH1A1ALOX15NR1I2LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011005735-A1 GREEN AND ATOM-ECONOMICAL PROCESSES FOR PRODUCING PHENOLIC ANTIOXIDANTS ALBEMARLE CORPORATION (US) 2011-01-13 WO claimed
CN-118159625-A Flame retardant composition, flame retardant resin composition, and molded article 株式会社ADEKA 2024-06-07 CN disclosed
WO-2011005735-A1 GREEN AND ATOM-ECONOMICAL PROCESSES FOR PRODUCING PHENOLIC ANTIOXIDANTS ALBEMARLE CORPORATION (US) 2011-01-13 WO disclosed