SCHEMBL9539486

SCHEMBL9539486

CC(C)c1cccc(C(C)C)c1C(C)C.SCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
GABRA1 P14867 3/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRB2 P47870 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
FAAH O00519 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
GABRB1 P18505 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR2C P28335 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
HTR2B P41595 1/20 0.50
GABRA2 P47869 1/20 0.50

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
SCHEMBL66227 0.92 GABRA1 (0.57) LMNAGABRA1GABRG2GABRB3GABRB2
Water SCHEMBL27976303 0.89 GABRA1 (0.55) LMNAGABRA1GABRG2GABRB3GABRB2
Hydrogen Sulfide SCHEMBL28223639 0.89 GABRA1 (0.55) LMNAGABRA1GABRG2GABRB3GABRB2
SCHEMBL29151002 0.89 GABRA1 (0.55) LMNAGABRA1GABRG2GABRB3GABRB2
SCHEMBL28509290 0.89 GABRA1 (0.55) LMNAGABRA1GABRG2GABRB3GABRB2
Benzene SCHEMBL7864298 0.89 GABRA1 (0.55) LMNAGABRA1GABRG2GABRB3GABRB2
Hydrochloric Acid SCHEMBL27766942 0.89 GABRA1 (0.55) LMNAGABRA1GABRG2GABRB3GABRB2
SCHEMBL9539491 0.87 LMNA (0.48) LMNAGABRA1GABRG2GABRB3GABRB2
Hydrogen Peroxide SCHEMBL8612837 0.86 GABRA1 (0.59) LMNAGABRA1GABRG2GABRB3GABRB2
Hydrogen Peroxide SCHEMBL10893500 0.86 GABRA1 (0.59) LMNAGABRA1GABRG2GABRB3GABRB2

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
WO-1993003733-A1 SYNTHESES, PHARMACEUTICAL COMPOSITION AND METHOD OF APPLICATION OF (2'-5') OLIGOADENYLATE ANALOGUES BASCO, LTD. (US) 1993-03-04 WO disclosed