SCHEMBL28485960

SCHEMBL28485960

Cc1c(C(C)C)cccc1C(C)C.[Cu]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
GABRA1 P14867 3/20 0.55
CYP3A4 P08684 3/20 0.55
GABRG2 P18507 2/20 0.55
GABRB3 P28472 2/20 0.55
GABRB2 P47870 2/20 0.55
SLC6A2 P23975 2/20 0.55
HTR2B P41595 2/20 0.55
FAAH O00519 2/20 0.55
TSHR P16473 2/20 0.55
CYP1A2 P05177 2/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
HPGD P15428 1/20 0.55
GABRB1 P18505 1/20 0.55
PTGS1 P23219 1/20 0.55
HTR2C P28335 1/20 0.55
GABRA5 P31644 1/20 0.55
GABRA3 P34903 1/20 0.55
GABRA2 P47869 1/20 0.55

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
SCHEMBL598930 0.97 LMNA (0.57) LMNAGABRA1CYP3A4GABRG2GABRB3
SCHEMBL19111817 0.85 LMNA (0.52) LMNAGABRA1CYP3A4GABRG2GABRB3
SCHEMBL20862729 0.85 LMNA (0.46) LMNAGABRA1CYP3A4GABRG2GABRB3
SCHEMBL19126295 0.85 GABRA1 (0.46) LMNAGABRA1CYP3A4GABRG2GABRB3
SCHEMBL16952315 0.85 LMNA (0.46) LMNAGABRA1CYP3A4GABRG2GABRB3
SCHEMBL25101037 0.85 LMNA (0.46) LMNAGABRA1CYP3A4GABRG2GABRB3
SCHEMBL196657 0.83 TSHR (0.50) LMNAGABRA1CYP3A4GABRG2GABRB3
SCHEMBL22096819 0.81 LMNA (0.48) LMNAGABRA1CYP3A4GABRG2GABRB3
Hydrochloric Acid SCHEMBL28185848 0.81 ADRA2A (0.50) LMNAGABRA1CYP3A4GABRG2GABRB3
SCHEMBL997260 0.81 GABRA1 (0.48) LMNAGABRA1CYP3A4GABRG2GABRB3

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-108203452-B Method for synthesizing sucralose-6-ethyl ester 山东康宝生化科技有限公司 2021-04-06 CN disclosed
CN-108409542-B Method for synthesizing 2, 3-dihydroxynaphthalene 南通柏盛化工有限公司 2020-12-01 CN disclosed