SCHEMBL28183000

SCHEMBL28183000

CCCCNC(C)(CCCC)CCCC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH7 P40394 1/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EPHX1 P07099 3/20 0.31
ALOX15 P16050 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL19242564 0.95 TSHR (0.36) TSHRCA1CA2ADH1BADH1C
SCHEMBL24505581 0.90 TSHR (0.35) TSHRCA1CA2ADH1BADH1C
SCHEMBL28182999 0.90 EPHX1 (0.44) TSHRADH1BADH1CADH1AADH7
SCHEMBL18482260 0.90 EPHX1 (0.44) TSHRADH1BADH1CADH1AADH7
SCHEMBL19352948 0.90 EPHX1 (0.39) TSHRADH1BADH1CADH1AADH7
SCHEMBL21790405 0.88 EPHX1 (0.42) TSHRADH1BADH1CADH1AADH7
SCHEMBL27454324 0.85 TSHR (0.44) TSHRADH1BADH1CADH1AADH7
SCHEMBL20643823 0.85 EPHX1 (0.44) TSHRADH1BADH1CADH1AADH7
SCHEMBL15926001 0.81 TSHR (0.39) TSHRCA1CA2ADH1BADH1C
SCHEMBL22851023 0.81 EPHX1 (0.52) TSHRALDH1A1EPHX1

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
CN-107406534-A Ionomer resin, ionomer solution containing the ionomer resin, laminate, member, electrochemical element, and electrochemical device 日东电工株式会社 2017-11-28 CN disclosed
CN-107405617-A Anion exchange membrane, electrochemical element and electrochemical device having the same 日东电工株式会社 2017-11-28 CN disclosed