SCHEMBL4334672

SCHEMBL4334672

CCOC(=O)C(Cc1cn(CCO)c2ccccc12)OC(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.48
MCL1 Q07820 2/20 0.43
CNR2 P34972 1/20 0.42
CDC25A P30304 1/20 0.41
ICMT O60725 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
RECQL P46063 1/20 0.40
CNR1 P21554 2/20 0.39
ALOX5 P09917 1/20 0.39
LMNA P02545 1/20 0.38
KAT2B Q92831 1/20 0.38
KMT2A Q03164 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
SCHEMBL4331689 0.87 CREBBP (0.43) CREBBPMCL1CDC25AALDH1A1MAPT
SCHEMBL4336487 0.87 ALDH1A1 (0.52) CREBBPMCL1ALDH1A1MAPTRECQL
SCHEMBL4340097 0.86 PPARG (0.45) CREBBPALDH1A1MAPT
SCHEMBL6727371 0.86 CREBBP (0.45) CREBBPMCL1CNR2CDC25AICMT
SCHEMBL4333208 0.85 CREBBP (0.42) CREBBPMCL1CDC25AALDH1A1MAPT
SCHEMBL4339994 0.77 CYP4F2 (0.50) ALDH1A1LMNAKMT2A
SCHEMBL6727386 0.72 ALDH1A1 (0.48) MCL1CDC25AALDH1A1MAPTLMNA
SCHEMBL29982103 0.72 MAPT (0.64) CREBBPMCL1CNR2CDC25AICMT
SCHEMBL4332421 0.72 SPR (0.47) ALDH1A1MAPTALOX5LMNAKMT2A
SCHEMBL6724709 0.72 PPARA (0.46) CREBBPMCL1ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100522944-C Carboxylic acid derivatives and salts thereof EISAI CO LTD (JP) 2009-08-05 CN disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
CN-1503774-A Carboxylic acid derivatives and salts thereof ������������ʽ���� 2004-06-09 CN disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed