SCHEMBL20162257

SCHEMBL20162257

CCCCCCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.65
ALDH1A1 P00352 3/20 0.65
LMNA P02545 1/20 0.52
S1PR2 O95136 5/20 0.47
S1PR4 O95977 5/20 0.47
S1PR1 P21453 5/20 0.47
S1PR3 Q99500 5/20 0.47
S1PR5 Q9H228 1/20 0.47
EPHX1 P07099 2/20 0.46
ADH1B P00325 2/20 0.46
ADH1C P00326 2/20 0.46
ADH1A P07327 2/20 0.46
ADH4 P08319 2/20 0.46
ADH7 P40394 2/20 0.46
CYP3A4 P08684 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL22943343 1.00 TSHR (0.65) TSHRALDH1A1LMNAS1PR2S1PR4
SCHEMBL19462554 0.98 TSHR (0.62) TSHRALDH1A1LMNAS1PR2S1PR4
SCHEMBL23131709 0.95 TSHR (0.59) TSHRALDH1A1LMNAS1PR2S1PR4
SCHEMBL30948922 0.95 TSHR (0.59) TSHRALDH1A1LMNAS1PR2S1PR4
SCHEMBL20427832 0.93 TSHR (0.56) TSHRALDH1A1LMNAS1PR2S1PR4
SCHEMBL8503358 0.91 ALDH1A1 (0.54) TSHRALDH1A1LMNAS1PR2S1PR4
SCHEMBL115867 0.91 TSHR (0.52) TSHRALDH1A1LMNAS1PR2S1PR4
SCHEMBL21410771 0.91 ALDH1A1 (0.59) TSHRALDH1A1LMNAS1PR2S1PR4
SCHEMBL12478812 0.91 ALDH1A1 (0.59) TSHRALDH1A1LMNAS1PR2S1PR4
SCHEMBL6631058 0.89 LMNA (0.54) TSHRALDH1A1LMNAS1PR2S1PR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3322775-A1 COPOLYMERS AS ADDITIVES FOR FUELS AND LUBRICANTS BASF SE (DE) 2018-05-23 EP disclosed
EP-3322774-A1 USE OF CORROSION INHIBITORS FOR FUELS AND LUBRICANTS BASF SE (DE) 2018-05-23 EP disclosed
EP-3322780-A1 CORROSION INHIBITORS FOR FUELS AND LUBRICANTS BASF SE (DE) 2018-05-23 EP disclosed