SCHEMBL21154977

SCHEMBL21154977

Cc1c(C(C)C)cccc1C(C)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.40
TSHR P16473 3/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRB2 P47870 2/20 0.40
LMNA P02545 2/20 0.40
FAAH O00519 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
GABRB1 P18505 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2C P28335 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
HTR2B P41595 1/20 0.40
GABRA2 P47869 1/20 0.40

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
SCHEMBL19112120 0.94 SLC6A2 (0.34) GABRA1TSHRGABRG2GABRB3GABRB2
SCHEMBL19112087 0.92 GABRA1 (0.38) GABRA1TSHRGABRG2GABRB3GABRB2
SCHEMBL25132083 0.92 GABRA1 (0.38) GABRA1TSHRGABRG2GABRB3GABRB2
SCHEMBL24797796 0.81 MEN1 (0.36) CYP3A4SLC6A2DPP4ANPEPALDH1A1
SCHEMBL598930 0.80 LMNA (0.57) GABRA1TSHRGABRG2GABRB3GABRB2
SCHEMBL28445515 0.79 GABRA1 (0.36) GABRA1TSHRGABRG2GABRB3GABRB2
SCHEMBL19112088 0.79 HTR1A (0.34) GABRA1GABRG2GABRB3
Cipepofol SCHEMBL17515121 0.78 GABRA1 (0.65) GABRA1TSHRGABRG2GABRB3GABRB2
Cipepofol SCHEMBL17533281 0.78 GABRA1 (0.65) GABRA1TSHRGABRG2GABRB3GABRB2
SCHEMBL19704227 0.78 GABRA1 (0.39) GABRA1TSHRGABRG2GABRB3GABRB2

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
EP-2995604-B1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO LTD (CN) 2019-07-10 EP disclosed