SCHEMBL8464147

SCHEMBL8464147

CCCCCCCC(NC)NC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 3/20 0.44
DNM1 Q05193 2/20 0.43
EPHX1 P07099 1/20 0.43
OPRM1 P35372 1/20 0.42
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
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FDPS P14324 3/20 0.39
GPR84 Q9NQS5 2/20 0.39

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
SCHEMBL26691729 1.00 TSHR (0.44) TSHRTHRBLMNADNM1EPHX1
SCHEMBL3683626 0.97 OPRM1 (0.43) TSHRTHRBLMNADNM1EPHX1
SCHEMBL2515741 0.88
Hydrochloric Acid SCHEMBL10934929 0.86 DNM1 (0.39) TSHRLMNADNM1EPHX1OPRM1
SCHEMBL18315352 0.85 LMNA (0.38) TSHRTHRBLMNADNM1EPHX1
SCHEMBL25137857 0.78 EPHX1 (0.50) TSHRTHRBLMNADNM1EPHX1
SCHEMBL23851320 0.78 EPHX1 (0.50) TSHRTHRBLMNADNM1EPHX1
SCHEMBL22344694 0.78 EPHX1 (0.50) TSHRTHRBLMNADNM1EPHX1
SCHEMBL23851606 0.78 EPHX1 (0.50) TSHRTHRBLMNADNM1EPHX1
SCHEMBL22344693 0.78 EPHX1 (0.50) TSHRTHRBLMNADNM1EPHX1

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
EP-0945492-A1 AQUEOUS DISPERSION COMPOSITION Kyowa Yuka Co., Ltd. (JP) 1999-09-29 EP disclosed