SCHEMBL7276371

SCHEMBL7276371

C=CCCC#CCCCCC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
ALDH1A1 P00352 3/20 0.52
PTPN7 P35236 5/20 0.42
HMGCR P04035 5/20 0.42
RECQL P46063 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.34

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
SCHEMBL8211279 0.98 TSHR (0.58) TSHRALDH1A1PTPN7HMGCRRECQL
SCHEMBL5855801 0.93 TSHR (0.55) TSHRALDH1A1PTPN7HMGCRRECQL
SCHEMBL7279691 0.91 TSHR (0.61) TSHRALDH1A1PTPN7HMGCRRECQL
SCHEMBL8211719 0.88 TSHR (0.73) TSHRALDH1A1PTPN7HMGCRRECQL
SCHEMBL8213043 0.88 TSHR (0.65) TSHRALDH1A1PTPN7HMGCRRECQL
SCHEMBL28701951 0.88 TSHR (0.65) TSHRALDH1A1PTPN7HMGCRRECQL
SCHEMBL5872279 0.88 TSHR (0.73) TSHRALDH1A1PTPN7HMGCRRECQL
SCHEMBL6576796 0.88 TSHR (0.73) TSHRALDH1A1PTPN7HMGCRRECQL
SCHEMBL10804043 0.86 TSHR (0.61) TSHRALDH1A1PTPN7HMGCRRECQL
SCHEMBL7284670 0.83 TSHR (0.62) TSHRALDH1A1PTPN7HMGCRRECQL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5039674-A Calcium antagonistics YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-08-13 US disclosed
US-4782160-A CALCIUM RECEPTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1988-11-01 US disclosed
EP-0276552-A1 1,4-dihydropyridine derivatives and their production YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-03 EP disclosed