SCHEMBL17398951

SCHEMBL17398951

C=CCCCCCCCCCN(CCCC)CCCC

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.65
ALDH1A1 P00352 2/20 0.56
DNM1 Q05193 3/20 0.37
KDM5A P29375 3/20 0.36
PHF8 Q9UPP1 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
ABCC4 O15439 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL18701402 1.00 TSHR (0.65) TSHRALDH1A1DNM1KDM5APHF8
SCHEMBL15951725 0.98 TSHR (0.61) TSHRALDH1A1DNM1KDM5APHF8
SCHEMBL18780475 0.96 TSHR (0.60) TSHRALDH1A1DNM1KDM5APHF8
SCHEMBL7783171 0.95 TSHR (0.73) TSHRALDH1A1DNM1KDM5APHF8
SCHEMBL23679028 0.95 TSHR (0.73) TSHRALDH1A1DNM1
SCHEMBL22157441 0.93 TSHR (0.62) TSHRALDH1A1DNM1KDM5APHF8
SCHEMBL22157435 0.91 TSHR (0.58) TSHRALDH1A1DNM1KDM5APHF8
SCHEMBL22157379 0.91 TSHR (0.65) TSHRALDH1A1DNM1KDM5APHF8
SCHEMBL22157388 0.91 TSHR (0.65) TSHRALDH1A1DNM1KDM5APHF8
SCHEMBL22157439 0.91 TSHR (0.62) TSHRALDH1A1KDM5APHF8KDM4C

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
US-9228063-B2 Colored charged silsesquioxanes BASF SE (DE) 2016-01-05 US disclosed
US-9228063-B2 Colored charged silsesquioxanes BASF SE (DE) 2016-01-05 US disclosed