SCHEMBL8994586

SCHEMBL8994586

CC(C)(C)c1cc(C(C)(C)c2cc[c]cc2C(C)(C)C)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
ALOX15 P16050 4/20 0.44
HSD17B10 Q99714 2/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
MIF P14174 1/20 0.44
TYR P14679 1/20 0.44
HTT P42858 1/20 0.44
NFE2L2 Q16236 1/20 0.44
ESR1 P03372 2/20 0.41
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
ATP2A2 P16615 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATP2A3 Q93084 1/20 0.38
ALOX12 P18054 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL29377969 0.79 ALDH1A1 (0.61) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL122974 0.79 ALDH1A1 (0.61) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL29352462 0.79 ALDH1A1 (0.61) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL4977962 0.77 ESR1 (0.50) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL14445708 0.76 ALDH1A1 (0.69) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL225599 0.75 ALDH1A1 (0.48) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL29829219 0.74 ALDH1A1 (0.55) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL1972339 0.74 ALDH1A1 (0.55) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL109921 0.73 ALDH1A1 (0.67) ALDH1A1ALOX15HSD17B10NR1I2LMNA
SCHEMBL29364103 0.73 ALDH1A1 (0.67) ALDH1A1ALOX15HSD17B10NR1I2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3987006-A LITHIUM INITIATED, COUPLED POLYMER PHILLIPS PETROLEUM COMPANY (US) 1976-10-19 US claimed
EP-0492490-B1 Tapered block styrene/butadiene copolymers PHILLIPS PETROLEUM CO (US) 1996-08-14 EP disclosed
US-5227419-A TAPERED BLOCK STYRENE/BUTADIENE COPOLYMERS PHILLIPS PETROLEUM COMPANY (US) 1993-07-13 US disclosed
EP-0492490-A2 Tapered block styrene/butadiene copolymers PHILLIPS PETROLEUM COMPANY (US) 1992-07-01 EP disclosed