SCHEMBL10029774

SCHEMBL10029774

CCCCCCCCCC(C)(C#N)CCC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
THRB P10828 1/20 0.36
GGPS1 O95749 6/20 0.34
EBP Q15125 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
FDPS P14324 9/20 0.33
SMPD1 P17405 2/20 0.32
CES2 O00748 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32

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
SCHEMBL28291698 1.00 TSHR (0.36) TSHRTHRBGGPS1EBPSIGMAR1
SCHEMBL23508852 1.00 TSHR (0.36) TSHRTHRBGGPS1EBPSIGMAR1
SCHEMBL10029661 0.95 TSHR (0.40) TSHRTHRBGGPS1EBPSIGMAR1
SCHEMBL20967951 0.95 TSHR (0.40) TSHRTHRBGGPS1EBPSIGMAR1
SCHEMBL12208739 0.95 TSHR (0.40) TSHRTHRBGGPS1EBPSIGMAR1
SCHEMBL28191748 0.95 TSHR (0.40) TSHRTHRBGGPS1EBPSIGMAR1
SCHEMBL9912385 0.95 TSHR (0.40) TSHRTHRBGGPS1EBPSIGMAR1
SCHEMBL28930082 0.95 TSHR (0.40) TSHRTHRBGGPS1EBPSIGMAR1
Phosphine SCHEMBL11050682 0.93 TSHR (0.38) TSHRTHRBGGPS1EBPSIGMAR1
SCHEMBL12808432 0.93 TSHR (0.38) TSHRTHRBGGPS1EBPSIGMAR1

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-20120041100-A1 MOLECULAR MISCIBLE BLEND SOLUTION OF AROMATIC POLYAMIDE AND NON-CRYSTALLINE POLYMER, METHOD FOR PREPARING THE SAME, AROMATIC POLYAMIDE BLEND FIBER USING THE SAME AND METHOD FOR DYING THE SAME KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2012-02-16 US disclosed