SCHEMBL22722355

SCHEMBL22722355

CCCCCCCCCCCC1CCSC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
CYP1A2 P05177 4/20 0.40
ALDH1A1 P00352 2/20 0.39
NOS3 P29474 4/20 0.39
NOS1 P29475 4/20 0.39
NOS2 P35228 4/20 0.39
LSS P48449 2/20 0.35
S1PR3 Q99500 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL10884196 0.98 CYP1A2 (0.41) EPHX1CYP1A2ALDH1A1NOS3NOS1
SCHEMBL10776291 0.91
SCHEMBL5727981 0.87 CYP1A2 (0.35) EPHX1CYP1A2ALDH1A1NOS3NOS1
SCHEMBL10873449 0.82
SCHEMBL5728717 0.82 CYP1A2 (0.39) EPHX1CYP1A2ALDH1A1NOS3NOS1
SCHEMBL6566116 0.80 CYP1A2 (0.38) EPHX1CYP1A2ALDH1A1NOS3NOS1
SCHEMBL14470872 0.80
SCHEMBL13036480 0.78 CYP1A2 (0.58) EPHX1CYP1A2NOS3NOS1NOS2
SCHEMBL11068239 0.77
SCHEMBL19890971 0.77 SIGMAR1 (0.48)

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-10853743-B2 Systems, devices, and methods for searching and booking ride-shared trips TRANSIT LABS INC. (CA) 2020-12-01 US disclosed