SCHEMBL21773138

SCHEMBL21773138

C=CC/C(=C/C)CCC=C(C)C.C=CCCCC=C(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
FNTA P49354 4/20 0.44
FNTB P49356 4/20 0.44
PGGT1B P53609 1/20 0.41
SQLE Q14534 7/20 0.37
KMT2A Q03164 3/20 0.36
ALOX15 P16050 3/20 0.34
MEN1 O00255 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
UGT1A1 P22309 1/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL21773141 1.00 TSHR (0.46) TSHRFNTAFNTBPGGT1BSQLE
SCHEMBL61693 0.91 TSHR (0.54) TSHRFNTAFNTBPGGT1BSQLE
SCHEMBL61692 0.91 TSHR (0.54) TSHRFNTAFNTBPGGT1BSQLE
SCHEMBL18897604 0.91 TSHR (0.54) TSHRFNTAFNTBPGGT1BSQLE
SCHEMBL3671636 0.87 TSHR (0.45) TSHRFNTAFNTBPGGT1BSQLE
SCHEMBL3671637 0.87 TSHR (0.45) TSHRFNTAFNTBPGGT1BSQLE
SCHEMBL6851271 0.85 TSHR (0.44) TSHRFNTAFNTBPGGT1BSQLE
SCHEMBL6851269 0.85 TSHR (0.44) TSHRFNTAFNTBPGGT1BSQLE
SCHEMBL3671531 0.84 FNTA (0.60) TSHRFNTAFNTBPGGT1BSQLE
SCHEMBL6854457 0.84 TSHR (0.42) TSHRFNTAFNTBPGGT1BSQLE

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-20200071428-A1 CATALYST SYSTEM FOR MULTI-BLOCK COPLOYMER FORMATION DOW GLOBAL TECHNOLOGIES LLC 2020-03-05 US disclosed