SCHEMBL9756953

SCHEMBL9756953

CC(C)c1ccnc(C=CC(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ RXRA P19793 2/20 0.46
▸ NR4A2 P43354 1/20 0.46
▸ HDAC3 O15379 3/20 0.37
▸ HDAC4 P56524 3/20 0.37
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC7 Q8WUI4 3/20 0.37
▸ HDAC2 Q92769 3/20 0.37
▸ HDAC10 Q969S8 3/20 0.37
▸ HDAC11 Q96DB2 3/20 0.37
▸ HDAC8 Q9BY41 3/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.37
▸ HDAC9 Q9UKV0 3/20 0.37
▸ HDAC5 Q9UQL6 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ AKR1C3 P42330 2/20 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
SCHEMBL9756951 1.00 KDM4E (0.51) KDM4EMAPK1RXRANR4A2HDAC3
SCHEMBL23015843 0.86 CCNC (0.36) KDM4EMAPK1RXRANR4A2HDAC3
SCHEMBL12501377 0.83 CCNC (0.41) KDM4EMAPK1RXRANR4A2HDAC3
SCHEMBL6638838 0.80 TYR (0.34) KDM4EMAPK1RXRAHDAC4HDAC2
SCHEMBL2956488 0.78 SMN1; SMN2 (0.42) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL2956493 0.78 SMN1; SMN2 (0.42) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL2904251 0.75 TYR (0.43) KDM4ERXRAHDAC4HDAC2HDAC8
SCHEMBL23882851 0.75 CHEK2 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23882853 0.75 CHEK2 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18989993 0.75 NPSR1 (0.50) KDM4EMAPK1HDAC3HDAC4HDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 — — US disclosed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 — — EP disclosed
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