SCHEMBL4642352

SCHEMBL4642352

C=C(CCC(=O)Oc1ccc(C=O)cc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.66
ALDH1A1 P00352 6/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
EGFR P00533 2/20 0.41
ERBB2 P04626 2/20 0.41
KDM4E B2RXH2 2/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38
CYP2A6 P11509 1/20 0.38
HPGD P15428 3/20 0.37
ALDH1A3 P47895 1/20 0.35

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
SCHEMBL13481050 0.87 KMT2A (0.85) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL20095264 0.83 KMT2A (0.68) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL4646128 0.82 MAOA (0.44) KMT2AALDH1A1MAPTKDM4EHPGD
SCHEMBL4646093 0.80 KMT2A (0.74) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL14575820 0.80 KMT2A (1.00) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL14575315 0.80 KMT2A (0.93) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL28065494 0.79 ALDH1A1 (0.47) KMT2AALDH1A1MAPTLMNAPARP10
SCHEMBL14513471 0.79 KMT2A (0.72) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL4646697 0.79 KMT2A (0.83) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL4646026 0.78 KMT2A (0.77) KMT2AALDH1A1MAPTLMNAHTT

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
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed