SCHEMBL11523544

SCHEMBL11523544

CCCCCCCCN(CCCCCCCC)CCNCCN(CCCCCCCC)CCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
DNM1 Q05193 3/20 0.46
KDM5A P29375 2/20 0.42
PHF8 Q9UPP1 2/20 0.42
KDM4C Q9H3R0 1/20 0.42
EPHX1 P07099 2/20 0.41
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
THRB P10828 1/20 0.40
ICMT O60725 1/20 0.39
ALB P02768 1/20 0.39
S1PR2 O95136 5/20 0.38
S1PR4 O95977 5/20 0.38
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 5/20 0.38
S1PR5 Q9H228 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
SCHEMBL11519612 1.00 TSHR (0.50) TSHRALDH1A1DNM1KDM5APHF8
SCHEMBL11789461 1.00 TSHR (0.50) TSHRALDH1A1DNM1KDM5APHF8
SCHEMBL15234072 0.95 TSHR (0.59) TSHRALDH1A1DNM1KDM5APHF8
SCHEMBL21162945 0.95 TSHR (0.59) TSHRALDH1A1DNM1KDM5APHF8
SCHEMBL29255897 0.95 TSHR (0.59) TSHRALDH1A1DNM1KDM5APHF8
SCHEMBL24113654 0.95 TSHR (0.59) TSHRALDH1A1DNM1KDM5APHF8
SCHEMBL2518642 0.95 TSHR (0.59) TSHRALDH1A1DNM1KDM5APHF8
SCHEMBL9322901 0.95 TSHR (0.59) TSHRALDH1A1DNM1KDM5APHF8
SCHEMBL23940294 0.95 TSHR (0.59) TSHRALDH1A1DNM1KDM5APHF8
SCHEMBL19040868 0.95 TSHR (0.46) TSHRALDH1A1DNM1KDM5APHF8

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-4179469-A Preparation of amines UOP INC. (US) 1979-12-18 US disclosed