SCHEMBL29956935

SCHEMBL29956935

O=Cc1cc(OC2CC2)ccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
PARP10 Q53GL7 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EPHX2 P34913 5/20 0.39
ACSL1 P33121 4/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
HRH1 P35367 2/20 0.38
CCR3 P51677 1/20 0.38
HIF1A Q16665 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
ACSL3 O95573 1/20 0.37
ACSL6 Q9UKU0 1/20 0.37
DHODH Q02127 1/20 0.37

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
SCHEMBL29952862 0.88 MAOB (0.44) MAOBPARP10ALDH1A1LMNACASP3
SCHEMBL29955096 0.86 PARP10 (0.50) MAOBPARP10SENP8SENP6HIF1A
SCHEMBL29953745 0.82 KAT2B (0.43) PARP10EPHX2HIF1AHRH3FAAH
SCHEMBL30062254 0.82 ALDH1A1 (0.53) MAOBPARP10ALDH1A1LMNACASP3
SCHEMBL21434667 0.78 HRH1 (0.50) MAOBPARP10PTGS1PTGS2HRH1
SCHEMBL29900960 0.78 MAOB (0.46) MAOBPARP10ALDH1A1LMNACASP3
SCHEMBL26124962 0.78 MAOB (0.46) MAOBPARP10ALDH1A1LMNACASP3
SCHEMBL18114451 0.78 MAOB (0.46) MAOBPARP10ALDH1A1LMNACASP3
SCHEMBL29951453 0.77 PARP10 (0.50) MAOBPARP10SENP8SENP6ACSL1
SCHEMBL4733806 0.77 ERN1 (0.61) ALDH1A1LMNA

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed