SCHEMBL19242564

SCHEMBL19242564

CCCCC[C@](C)(CCCC)NCCCC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 3/20 0.33
THRB P10828 1/20 0.32
FDPS P14324 9/20 0.31
GGPS1 O95749 6/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH7 P40394 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL19352948 0.95 EPHX1 (0.39) TSHRALDH1A1EPHX1THRBFDPS
SCHEMBL28183000 0.95 TSHR (0.38) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL21790405 0.93 EPHX1 (0.42) TSHRALDH1A1EPHX1THRBFDPS
SCHEMBL28182999 0.91 EPHX1 (0.44) TSHRALDH1A1EPHX1THRBADH1B
SCHEMBL20643823 0.91 EPHX1 (0.44) TSHRALDH1A1EPHX1THRBFDPS
SCHEMBL18482260 0.91 EPHX1 (0.44) TSHRALDH1A1EPHX1THRBADH1B
SCHEMBL24045162 0.86 EPHX1 (0.39) TSHRALDH1A1EPHX1THRBFDPS
SCHEMBL24505581 0.86 TSHR (0.35) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL18525926 0.86 EPHX1 (0.39) TSHRALDH1A1EPHX1THRBFDPS
SCHEMBL22851703 0.86 DNM1 (0.44) TSHRALDH1A1EPHX1FDPS

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
US-9735199-B2 Light emitting device LG INNOTEK CO., LTD. (KR) 2017-08-15 US disclosed