SCHEMBL28829670

SCHEMBL28829670

C=Cc1cc(O)ccc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TYR P14679 3/20 0.50
ALOX15 P16050 2/20 0.50
LMNA P02545 2/20 0.50
NR1I2 O75469 1/20 0.50
CYP2C9 P11712 1/20 0.50
MIF P14174 1/20 0.50
HTT P42858 1/20 0.50
NFE2L2 Q16236 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
ATP2A2 P16615 1/20 0.38
ATP2A3 Q93084 1/20 0.38
ESR1 P03372 6/20 0.37
ESR2 Q92731 6/20 0.37
ESRRB O95718 1/20 0.37
ESRRA P11474 1/20 0.37

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
SCHEMBL662595 0.84 ALDH1A1 (0.55) ALDH1A1TYRALOX15LMNANR1I2
SCHEMBL3430867 0.80 ALDH1A1 (0.50) ALDH1A1TYRALOX15LMNANR1I2
SCHEMBL25625588 0.76 PTGS1 (0.40) ALDH1A1HTTNFE2L2SMN1; SMN2MAPT
SCHEMBL15496925 0.76 KCNJ11 (0.42) ALDH1A1ALOX15LMNAHTTHSD17B10
SCHEMBL11661833 0.75 ALDH1A1 (0.38) ALDH1A1TYRALOX15LMNANR1I2
SCHEMBL5307068 0.74 RARG (0.44) ALOX15HSD17B10SMN1; SMN2MAPTPOLB
SCHEMBL27827427 0.73 ALOX15 (0.62) ALDH1A1TYRALOX15LMNANR1I2
SCHEMBL11409470 0.73 ALOX15 (0.56) ALDH1A1TYRALOX15LMNANR1I2
SCHEMBL2160202 0.73 ALDH1A1 (0.70) ALDH1A1TYRALOX15LMNANR1I2
SCHEMBL4543641 0.73 ALDH1A1 (0.52) ALDH1A1TYRALOX15LMNANR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114950551-B Monophosphite polymer catalyst for olefin hydroformylation, preparation method and application thereof 中国海洋石油集团有限公司 2024-05-07 CN disclosed
CN-114950551-A Monophosphite polymer catalyst for olefin hydroformylation and preparation method and application thereof 中国海洋石油集团有限公司 2022-08-30 CN disclosed