SCHEMBL25435977

SCHEMBL25435977

CCCCCCCCCCCCCCCCCCNCCNCCNCCCCCCCCCCCC

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.87
ALDH1A1 P00352 1/20 0.87
EPHX1 P07099 4/20 0.58
ADH1B P00325 1/20 0.57
ADH1C P00326 1/20 0.57
ADH1A P07327 1/20 0.57
ADH4 P08319 1/20 0.57
ADH7 P40394 1/20 0.57
S1PR2 O95136 5/20 0.56
S1PR4 O95977 5/20 0.56
S1PR1 P21453 5/20 0.56
S1PR3 Q99500 5/20 0.56
S1PR5 Q9H228 1/20 0.56
THRB P10828 1/20 0.53
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
SIGMAR1 Q99720 1/20 0.48
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL17710352 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL11519282 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL10381778 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL7588265 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL868091 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL19462555 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL251953 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL11743896 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL21113627 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL17710359 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C

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-2023153302-A1 CYCLIC OLEFIN RESIN COMPOSITION, MOLDED ARTICLE AND OPTICAL COMPONENT 三井化学株式会社 2023-08-17 WO disclosed