SCHEMBL6590729

SCHEMBL6590729

CC1C[C@H](c2ccc(O)c(C(C)(C)C)c2)CC(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
ALOX15 P16050 2/20 0.40
NR1I2 O75469 1/20 0.40
MIF P14174 1/20 0.40
TYR P14679 1/20 0.40
HTT P42858 1/20 0.40
NFE2L2 Q16236 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ATP2A2 P16615 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATP2A3 Q93084 1/20 0.34
ATM Q13315 1/20 0.34
HSP90AA1 P07900 5/20 0.33

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
SCHEMBL6590732 1.00 ALDH1A1 (0.40) ALDH1A1LMNACYP2C9ALOX15NR1I2
SCHEMBL27675565 0.86 ALDH1A1 (0.33) ALDH1A1LMNACYP2C9HTTCYP1A2
SCHEMBL6589660 0.84 CA2 (0.43) ALDH1A1LMNACYP2C9ALOX15TYR
SCHEMBL6589658 0.84 CA2 (0.43) ALDH1A1LMNACYP2C9ALOX15TYR
SCHEMBL7119393 0.81 ESR1 (0.43) ALDH1A1LMNACYP2C9NR1I2HTT
SCHEMBL4317921 0.80 ALDH1A1 (0.37) ALDH1A1LMNACYP2C9ALOX15NR1I2
SCHEMBL19031705 0.80 LMNA (0.37) ALDH1A1LMNACYP2C9HSD17B10CYP1A2
SCHEMBL4126596 0.80 ALDH1A1 (0.37) ALDH1A1LMNACYP2C9ALOX15NR1I2
SCHEMBL28361734 0.80 ESR1 (0.40) ALDH1A1LMNACYP2C9NR1I2HTT
SCHEMBL6589150 0.78 CA2 (0.34) ALDH1A1CYP2C9TYRCYP1A2CYP2C19

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
EP-1414887-A1 METHOD OF POLYCARBONATE PREPARATION GENERAL ELECTRIC COMPANY (US) 2004-05-06 EP disclosed
EP-1414888-A1 EXTRUSION METHOD FOR MAKING POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2004-05-06 EP disclosed
WO-2003010218-A1 METHOD OF POLYCARBONATE PREPARATION GENERAL ELECTRIC COMPANY (US) 2003-02-06 WO disclosed
WO-2003010220-A1 EXTRUSION METHOD FOR MAKING POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2003-02-06 WO disclosed