SCHEMBL5503549

SCHEMBL5503549

CC(C)c1cccc2c1O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRB2 P47870 2/20 0.46
LMNA P02545 2/20 0.46
FAAH O00519 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
GABRB1 P18505 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
HTR2B P41595 1/20 0.46
GABRA2 P47869 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
SCHEMBL29801762 1.00 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL24390046 0.93 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL31539691 0.80 AHR (0.43) AHR
SCHEMBL14563438 0.77 ATM (0.43) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL14031975 0.74 DRD1 (0.46) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL71419 0.74 ALDH1A1 (0.48) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL71418 0.74 ITGB2 (0.44) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL21913680 0.73 P2RX4 (0.40) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL70921 0.73 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL7745010 0.73 ALDH1A1 (0.43) GABRA1GABRG2GABRB3GABRB2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114736172-B Method for preparing epoxy isopropylbenzene 郑州大学 2024-07-05 CN claimed
CN-114736172-A Method for preparing epoxy cumene 郑州大学 2022-07-12 CN claimed
CN-114736172-B Method for preparing epoxy isopropylbenzene 郑州大学 2024-07-05 CN disclosed
CN-114736172-B Method for preparing epoxy isopropylbenzene 郑州大学 2024-07-05 CN disclosed
CN-114736172-B Method for preparing epoxy isopropylbenzene 郑州大学 2024-07-05 CN disclosed
CN-114736172-A Method for preparing epoxy cumene 郑州大学 2022-07-12 CN disclosed
CN-114736172-A Method for preparing epoxy cumene 郑州大学 2022-07-12 CN disclosed
CN-114736172-A Method for preparing epoxy cumene 郑州大学 2022-07-12 CN disclosed
EP-1773798-A1 RECOVERY OF OPTICALLY ACTIVE EPOXY ALCOHOLS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-18 EP disclosed
WO-2005123708-A1 RECOVERY OF OPTICALLY ACTIVE EPOXY ALCOHOLS SMITHKLINE BEECHAM CORPORATION (US) 2005-12-29 WO disclosed
US-4167539-A Styrene-grafted polyanhydride copolymer GULF OIL CORPORATION (US) 1979-09-11 US disclosed
US-4097448-A Thermosettable epoxide-polyanhydride compositions GULF OIL CORPORATION (US) 1978-06-27 US disclosed
US-4097449-A Handleable, thermosettable epoxide-polyanhydride compositions GULF OIL CORPORATION (US) 1978-06-27 US disclosed