SCHEMBL11316626

SCHEMBL11316626

C=CN1CCCC1=O.CC/C(C(=O)O)=C(\O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
INMT O95050 1/20 0.33
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.30
BRD4 O60885 1/20 0.30
BRD2 P25440 1/20 0.30

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
Propionic Acid SCHEMBL28130435 0.85 LMNA (0.39) LMNAKMT2ACA12CA1CA2
SCHEMBL5292581 0.82 LMNA (0.36) LMNAKMT2ACA12CA1CA2
SCHEMBL28322900 0.82 LMNA (0.33) LMNAKMT2ACA12CA1CA2
SCHEMBL10909349 0.82 LMNA (0.35) LMNAKMT2ACA12CA1CA2
SCHEMBL5268013 0.81 LMNA (0.35) LMNAKMT2ACA12CA1CA2
Alcohol SCHEMBL10953170 0.80 BRD4 (0.39) LMNAKMT2ACA12CA1CA2
Acetic Acid SCHEMBL887070 0.80 BRD4 (0.39) LMNAKMT2ACA12CA1CA2
Bicarbonate SCHEMBL28233410 0.79 LMNA (0.39) LMNAKMT2ACA12CA1CA2
Hydrogen Peroxide SCHEMBL610401 0.79 BRD4 (0.39) LMNAKMT2ACA12CA1CA2
Hydrogen Peroxide SCHEMBL2561887 0.79 BRD4 (0.39) LMNAKMT2ACA12CA1CA2

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