SCHEMBL29484682

SCHEMBL29484682

CCC(=O)Oc1cccc(C(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.52
GABRA1 P14867 2/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
FAAH O00519 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
GABRB1 P18505 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR2C P28335 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
HTR2B P41595 1/20 0.52
GABRA2 P47869 1/20 0.52

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
SCHEMBL28858144 0.87 LMNA (0.48) HIF1AGABRA1GABRG2GABRB3FAAH
SCHEMBL43475 0.84 ELANE (0.49) HIF1ALMNACYP1A2TSHRALOX15
SCHEMBL15548665 0.83 SCN5A (0.46) ALOX15NLRP3SCN5ASCN9ASCN10A
SCHEMBL6197558 0.83 TSHR (0.55) HIF1AGABRA1GABRG2GABRB3FAAH
SCHEMBL67780 0.82 ALOX15 (0.50) HIF1ACA1CA2LMNACYP3A4
SCHEMBL29484681 0.82 ALOX15 (0.38) HIF1AALOX15ACHEESR1
SCHEMBL16330807 0.81 SCN5A (0.52) SCN5ASCN9ASCN10A
SCHEMBL26153367 0.79 ACHE (0.47) HIF1ALMNAHPGDALOX15ACHE
SCHEMBL9967744 0.79 GABRA1 (0.59) HIF1AGABRA1GABRG2GABRB3FAAH
SCHEMBL15560740 0.78 ELANE (0.41) LMNAALOX15NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114249652-A Phenol derivative and application thereof in medicine 天地恒一制药股份有限公司 2022-03-29 CN disclosed