SCHEMBL5508330

SCHEMBL5508330

CCCCCCCCCCCCCCCCCCCNC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.50
TSHR P16473 3/20 0.48
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.44
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH4 P08319 1/20 0.44
ADH7 P40394 1/20 0.44
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PPARA Q07869 2/20 0.39
GBA1 P04062 1/20 0.38
CASP2 P42575 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
SCHEMBL983390 1.00 EPHX1 (0.50) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL668300 1.00 EPHX1 (0.50) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL7777014 1.00 EPHX1 (0.50) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL668098 1.00 EPHX1 (0.50) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL7776706 1.00 EPHX1 (0.50) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL5504517 1.00 EPHX1 (0.50) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL15171894 1.00 EPHX1 (0.50) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL41714 1.00 EPHX1 (0.50) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL8421553 1.00 EPHX1 (0.50) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL7174533 1.00 EPHX1 (0.50) EPHX1TSHRALDH1A1THRBADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1766183-A1 ENHANCEMENT MODIFIERS FOR GAS HYDRATE INHIBITORS Baker Hughes Incorporated (US) 2007-03-28 EP disclosed
WO-2005116399-A1 ENHANCEMENT MODIFIERS FOR GAS HYDRATE INHIBITORS BAKER HUGHES INCORPORATED (US) 2005-12-08 WO disclosed