SCHEMBL2321997

SCHEMBL2321997

O=C(O)C(OO)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)CO

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.54
TDP1 Q9NUW8 1/20 0.50
USP2 O75604 1/20 0.50
SLCO1B1 Q9Y6L6 1/20 0.50
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
OR51E2 Q9H255 1/20 0.36
KDM4E B2RXH2 2/20 0.34
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
MGAM O43451 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
SCHEMBL11390862 1.00 PDE4A (0.54) PDE4ATDP1USP2SLCO1B1LMNA
SCHEMBL1043260 1.00 PDE4A (0.54) PDE4ATDP1USP2SLCO1B1LMNA
SCHEMBL15563004 0.98 PDE4A (0.56) PDE4ATDP1USP2SLCO1B1LMNA
SCHEMBL10753257 0.98 PDE4A (0.56) PDE4ATDP1USP2SLCO1B1LMNA
SCHEMBL9690084 0.84 PDE4A (0.50) PDE4ATDP1USP2SLCO1B1LMNA
SCHEMBL612464 0.82 PDE4A (0.44) PDE4ATDP1USP2SLCO1B1LMNA
SCHEMBL15049970 0.82 PDE4A (0.52) PDE4ATDP1USP2SLCO1B1LMNA
SCHEMBL8680823 0.82 PDE4A (0.52) PDE4ATDP1USP2SLCO1B1LMNA
SCHEMBL17888973 0.82 USP2 (0.53) PDE4ATDP1USP2SLCO1B1LMNA
SCHEMBL2933990 0.79 PDE4A (0.54) PDE4ATDP1USP2SLCO1B1LMNA

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
US-5961999-A Method of skin care using a skin care preparation containing a betaine ester and an α-hydroxy acid WELLA AKTIENGESELLSCHAFT (DE) 1999-10-05 US claimed
US-20160340694-A1 METHODS AND COMPOSITIONS FOR PRODUCING OLEFINS GENOMATICA, INC. 2016-11-24 US disclosed
US-8597922-B2 Methods and compositions for producing olefins LS9, INC. (US) 2013-12-03 US disclosed
US-20120253088-A1 METHODS AND COMPOSITIONS FOR PRODUCING OLEFINS LS9, INC. (US) 2012-10-04 US disclosed
US-8183028-B2 Methods and compositions for producing olefins LS9, INC. (US) 2012-05-22 US disclosed
US-20110196180-A1 METHODS AND COMPOSITIONS FOR PRODUCING OLEFINS LS9, INC. (US) 2011-08-11 US disclosed
WO-2009085278-A1 METHODS AND COMPOSITIONS FOR PRODUCING OLEFINS LS9, INC. (US) 2009-07-09 WO disclosed
US-5961999-A Method of skin care using a skin care preparation containing a betaine ester and an α-hydroxy acid WELLA AKTIENGESELLSCHAFT (DE) 1999-10-05 US disclosed