SCHEMBL6001892

SCHEMBL6001892

O=C(O)CCCCC(/C=C/c1ccccc1OCc1ccccc1)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
CRHBP P24387 2/20 0.50
CRHR2 Q13324 2/20 0.50
PSMD14 O00487 1/20 0.50
PPARG P37231 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
PTGER1 P34995 2/20 0.46
PTGER4 P35408 2/20 0.46
PTGER3 P43115 2/20 0.46
PTGER2 P43116 2/20 0.46
RXRA P19793 7/20 0.45
RXRB P28702 6/20 0.45
RXRG P48443 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 2/20 0.44
CCNB2 O95067 1/20 0.44

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
SCHEMBL6001894 1.00 KMT2A (0.50) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL13443224 0.95 KMT2A (0.48) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL6001889 0.94 KMT2A (0.47) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL13443314 0.94 KMT2A (0.47) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL13443320 0.92 KMT2A (0.42) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL3599275 0.92 KMT2A (0.45) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL3599278 0.92 KMT2A (0.45) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL13443500 0.91 KMT2A (0.44) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL13443324 0.91 NPC1 (0.48) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL7621554 0.91 KMT2A (0.54) KMT2AKDM4EMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1655280-A1 Dicarboxylic acid derivates with pharmaceutical properties Bayer HealthCare AG (DE) 2006-05-10 EP disclosed
US-6864287-B1 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2005-03-08 US disclosed
EP-1216222-A2 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES Bayer Aktiengesellschaft (DE) 2002-06-26 EP disclosed
WO-2001019776-A2 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed