SCHEMBL7022862

SCHEMBL7022862

CCCc1c(O)c(C)cc2c1C(C)(C)CC(=O)O2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B3 P37058 1/20 0.33
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
NQO1 P15559 2/20 0.31
ABCB11 O95342 1/20 0.31
MAOA P21397 1/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7027747 0.83 KDM4E (0.38) KDM4EALDH1A1HPGDNQO1MEN1
SCHEMBL7028905 0.80 ALDH1A1 (0.42) KDM4EALDH1A1HPGDMEN1USP2
SCHEMBL29599864 0.80 ALDH1A1 (0.42) KDM4EALDH1A1HPGDMEN1USP2
SCHEMBL7025297 0.76 KDM4E (0.35) KDM4EALDH1A1HPGDMEN1USP2
SCHEMBL10298947 0.74 MAOA (0.38) KDM4EALDH1A1HPGDLDHAMAOA
SCHEMBL10298942 0.74 KDM4E (0.36) KDM4EALDH1A1HPGDMAOAHSD17B10
SCHEMBL7029212 0.73 KDM4E (0.38) KDM4EALDH1A1HPGD
SCHEMBL25246567 0.73 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMEN1USP2
SCHEMBL31179720 0.70 ALDH1A1 (0.36) KDM4EALDH1A1HPGDMEN1USP2
SCHEMBL9028997 0.70 LDHA (0.35) KDM4EALDH1A1HPGDLDHALDHB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064257-B1 ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
EP-1064253-B1 ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
US-6472435-B1 ANTITUMOR ANTIPROLIFERATION AGENT FORMED BY AMIDATION OF CARBOXY ACID WITH AROMATIC AMINE COMPOUND ASTRAZENECA AB (SE) 2002-10-29 US disclosed
US-6346633-B1 TERT-AMINOPHENYLESTER OF ACID ASTRAZENECA AB (SE) 2002-02-12 US disclosed
EP-1064253-A1 ANTI-TUMOUR AGENTS AstraZeneca AB (SE) 2001-01-03 EP disclosed
EP-1064257-A1 ANTI-TUMOUR AGENTS AstraZeneca AB (SE) 2001-01-03 EP disclosed
WO-1999048857-A1 ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 1999-09-30 WO disclosed
WO-1999048860-A1 ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 1999-09-30 WO disclosed