SCHEMBL9717088

SCHEMBL9717088

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
ALOX15 P16050 2/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.43
MIF P14174 1/20 0.43
TYR P14679 1/20 0.43
HTT P42858 1/20 0.43
NFE2L2 Q16236 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
CYP1A2 P05177 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ATP2A2 P16615 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATP2A3 Q93084 1/20 0.37
RARB P10826 2/20 0.36
RARG P13631 2/20 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
SCHEMBL9444069 0.82 ALDH1A1 (0.43) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL10352003 0.80 TDP1 (0.43) ALDH1A1ALOX15NR1I2LMNAHSD17B10
SCHEMBL27001798 0.80 ESR1 (0.39) TYRTDP1
SCHEMBL11590553 0.75 ALDH1A1 (0.53) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL30493643 0.74 ALDH1A1 (0.48) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL30343447 0.73 ALDH1A1 (0.59) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL1597576 0.73 ALDH1A1 (0.59) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL30343454 0.72 ALDH1A1 (0.53) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL30343443 0.72 ALDH1A1 (0.53) ALDH1A1ALOX15NR1I2LMNACYP2C9
SCHEMBL1597262 0.72 ALDH1A1 (0.53) 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
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