SCHEMBL21158602

SCHEMBL21158602

CCCCCCCC(C)(C)CCCCNCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
ALDH1A1 P00352 1/20 0.50
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
KDM1A O60341 5/20 0.45
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX1 P07099 3/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
S1PR2 O95136 5/20 0.38
S1PR4 O95977 5/20 0.38
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 5/20 0.38
S1PR5 Q9H228 1/20 0.38
GNAI3 P08754 1/20 0.38

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
SCHEMBL16330517 0.91 TSHR (0.48) TSHRALDH1A1CYP2C19CYP1A2KDM1A
SCHEMBL13770579 0.86 TSHR (0.59) TSHRALDH1A1CYP2C19CYP1A2KDM1A
SCHEMBL22374231 0.84 CYP2C19 (0.50) TSHRALDH1A1CYP2C19CYP1A2KDM1A
SCHEMBL19841895 0.84 TSHR (0.52) TSHRALDH1A1CYP2C19CYP1A2MEN1
SCHEMBL25198169 0.83 TSHR (0.77) TSHRALDH1A1CYP2C19CYP1A2KDM1A
SCHEMBL25184850 0.83 TSHR (0.77) TSHRALDH1A1CYP2C19CYP1A2KDM1A
SCHEMBL21611661 0.83 TSHR (0.77) TSHRALDH1A1CYP2C19CYP1A2KDM1A
SCHEMBL25177470 0.83 TSHR (0.77) TSHRALDH1A1CYP2C19CYP1A2KDM1A
SCHEMBL20799545 0.83 TSHR (0.77) TSHRALDH1A1CYP2C19CYP1A2KDM1A
SCHEMBL24742546 0.83 TSHR (0.77) TSHRALDH1A1CYP2C19CYP1A2KDM1A

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
US-10347197-B2 Liquid crystal display device and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2019-07-09 US disclosed