SCHEMBL11615405

SCHEMBL11615405

CCCCCCCCC(Oc1cccs1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.46
PPARG P37231 5/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
PPARA Q07869 5/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH2 P05091 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GPR84 Q9NQS5 3/20 0.39
FFAR1 O14842 1/20 0.39
MAPT P10636 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL11578742 1.00 CTRC (0.46) CTRCPPARGPTGESALOX5PPARA
SCHEMBL11574664 0.88 PRSS1 (0.39) CTRCPPARGHDAC1HDAC11HDAC8
SCHEMBL11617528 0.88 PRSS1 (0.39) CTRCPPARGHDAC1HDAC11HDAC8
SCHEMBL9814953 0.80 PPARA (0.60) PPARGPPARAMAPT
SCHEMBL16667503 0.80 GLA (0.35) CTRCPPARGHDAC1HDAC11HDAC8
SCHEMBL28882503 0.80 GLA (0.35) CTRCPPARGHDAC1HDAC11HDAC8
SCHEMBL11531304 0.78 CTRC (0.64) CTRCPPARGPTGESALOX5PPARA
SCHEMBL6342298 0.78 CTRC (0.64) CTRCPPARGPTGESALOX5PPARA
SCHEMBL22828775 0.78 CTRC (0.64) CTRCPPARGPTGESALOX5PPARA
SCHEMBL4002165 0.78 CTRC (0.64) CTRCPPARGPTGESALOX5PPARA

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-4086417-A ANTILEUKEMIA ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1978-04-25 US disclosed