SCHEMBL9717099

SCHEMBL9717099

CC(C)(C)c1cc(C(=O)Cl)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.58
HSP90AB1 P08238 7/20 0.58
ALDH1A1 P00352 3/20 0.53
ALOX15 P16050 2/20 0.53
NR1I2 O75469 1/20 0.53
LMNA P02545 1/20 0.53
CYP2C9 P11712 1/20 0.53
MIF P14174 1/20 0.53
TYR P14679 1/20 0.53
HTT P42858 1/20 0.53
NFE2L2 Q16236 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ESRRA P11474 2/20 0.53
RARB P10826 2/20 0.53
RARG P13631 2/20 0.53
RARA P10276 1/20 0.53
NR1H4 Q96RI1 4/20 0.49
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL2154079 0.84 HSP90AA1 (0.41) HSP90AA1HSP90AB1ALDH1A1LMNAESRRA
SCHEMBL384263 0.82 RARB (0.71) HSP90AA1HSP90AB1ALDH1A1ALOX15NR1I2
SCHEMBL1730526 0.82 ESRRA (0.68) HSP90AA1HSP90AB1ALDH1A1ALOX15NR1I2
SCHEMBL29654169 0.82 RARB (0.71) HSP90AA1HSP90AB1ALDH1A1ALOX15NR1I2
SCHEMBL28059045 0.81 HSP90AA1 (0.39) HSP90AA1HSP90AB1LMNACYP2C9HTT
SCHEMBL13044197 0.81 HSP90AA1 (0.58) HSP90AA1HSP90AB1ALDH1A1ALOX15NR1I2
SCHEMBL15505390 0.81 TSHR (0.39) HSP90AA1HSP90AB1ALDH1A1LMNAESRRA
SCHEMBL5373229 0.81 HSP90AA1 (0.58) HSP90AA1HSP90AB1ALDH1A1ALOX15NR1I2
SCHEMBL4895466 0.81 P4HB (0.47) HSP90AA1HSP90AB1HSD17B10CYP1A2
SCHEMBL10428423 0.79 SIRT1 (0.54) HSP90AA1HSP90AB1ALDH1A1ALOX15NR1I2

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
US-5162405-A Single-functional and mixtures of multi-functional oligomeric performance additive compositions and their uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1992-11-10 US disclosed
US-5013777-A Benzosulfonic acids as end groups of engineering thermoplastic resins; fireproofing; oxidation and UV resistances; photostabilizers ATOCHEM NORTH AMERICA, INC. (US) 1991-05-07 US disclosed
EP-0332761-A2 Single-functional and mixtures of multifunctional oligomeric performance additive compositions, and their use ELF ATOCHEM NORTH AMERICA, INC. (US) 1989-09-20 EP disclosed