SCHEMBL11316348

SCHEMBL11316348

O=C(/C=C\C(=O)OCN1CCCC1=O)OCN1CCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
BLM P54132 1/20 0.44
KMT2A Q03164 3/20 0.44
PIK3CD O00329 1/20 0.42
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
CHRM2 P08172 2/20 0.39
CHRM5 P08912 2/20 0.39
CYP2D6 P10635 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM4 P08173 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.36
ALOX12 P18054 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL15024869 0.94 BLM (0.54) TSHRBLMKMT2APIK3CDHTT
SCHEMBL17695760 0.92 TSHR (0.42) TSHRBLMKMT2APIK3CDHTT
SCHEMBL15024710 0.92 TSHR (0.42) TSHRBLMKMT2APIK3CDHTT
SCHEMBL12515511 0.88 BLM (0.51) TSHRBLMKMT2AHTT
SCHEMBL7629454 0.86 TSHR (0.46) TSHRBLMKMT2APIK3CDHTT
SCHEMBL15024709 0.86 KMT2A (0.40) TSHRBLMKMT2APIK3CDALDH1A1
SCHEMBL402936 0.83 POLB (0.47) TSHRBLMKMT2APIK3CDHTT
SCHEMBL16093641 0.83 POLB (0.47) TSHRBLMKMT2APIK3CDHTT
SCHEMBL12515479 0.80 KMT2A (0.43) TSHRBLMKMT2APIK3CDHTT
SCHEMBL8069623 0.80 TSHR (0.50) TSHRBLMKMT2APIK3CDHTT

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-4265778-A FATTY ACID SALT, INTERPOLYMER OF A MALEIC ANHYDRIDE OR ACID AND A VINYL LACTAM OR VINYL ETHER OR ESTER COLGATE-PALMOLIVE COMPANY (US) 1981-05-05 US disclosed