SCHEMBL2990685

SCHEMBL2990685

CCC(c1ccccc1)C(C)OC(=O)c1ccccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
CYP3A4 P08684 2/20 0.40
CA2 P00918 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
KCNA3 P22001 1/20 0.39
POLB P06746 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39

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
SCHEMBL2984020 0.85 ALDH1A1 (0.50) ALDH1A1LMNAKDM4EHPGDTAAR1
SCHEMBL28994385 0.83 ALDH1A1 (0.61) ALDH1A1LMNAKDM4EHPGDTSHR
SCHEMBL226267 0.80 ALDH1A1 (0.54) ALDH1A1LMNAKDM4EHPGDTAAR1
SCHEMBL2989810 0.80 ALDH1A1 (0.68) ALDH1A1KDM4ETSHRALOX15SCN1A
SCHEMBL7195671 0.80 ALDH1A1 (0.51) ALDH1A1LMNACYP3A4HKDC1POLB
SCHEMBL2995493 0.79 ALDH1A1 (0.53) ALDH1A1LMNAKDM4EHPGDTAAR1
SCHEMBL6226426 0.79 ALDH1A1 (0.59) ALDH1A1LMNAKDM4EHPGDTSHR
SCHEMBL11587948 0.78 CYP1A2 (0.45) ALDH1A1LMNATAAR1CYP3A4HKDC1
SCHEMBL234419 0.78 ALDH1A1 (0.57) ALDH1A1LMNAKDM4EHPGDTSHR
SCHEMBL2996221 0.78 ALDH1A1 (0.57) ALDH1A1LMNAKDM4EHPGDTAAR1

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
US-8444774-B2 Flux composition and process for use thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-05-21 US disclosed
US-7780801-B2 for soldering flip chip surfaces; fluxing agent comprises keto acid such as levulinic acid or acetylbutyric acid; mixture of tacky solvent (ethoxylated glycerol) with non-tacky solvent (methanol) INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-08-24 US disclosed
US-20100175790-A1 New Flux Composition and Process For Use Thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-07-15 US disclosed
US-20080124568-A1 New flux composition and process for use thereof GLOBALFOUNDRIES INC. (KY) 2008-05-29 US disclosed