SCHEMBL8071373

SCHEMBL8071373

CC(=CC(C)N(C)CCCC(=O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
EPHX2 P34913 5/20 0.32
AKR1B1 P15121 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
PMP22 Q01453 1/20 0.31
KDM4C Q9H3R0 3/20 0.31
KDM5A P29375 1/20 0.31
KDM4A O75164 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31

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
SCHEMBL9883738 0.74 LMNA (0.43) LMNASLC22A6AKR1B1TSHRNFKB1
SCHEMBL44910 0.72 PTGS1 (0.31)
SCHEMBL3916360 0.72 PTGS1 (0.31)
SCHEMBL4407594 0.71 ADRA1A (0.38) LMNASLC22A6AKR1B1TSHRNFKB1
Acetic Acid SCHEMBL6238307 0.70 FFAR3 (0.32)
Chloromethane SCHEMBL219839 0.70 TUBB1 (0.31)
Hydrochloric Acid SCHEMBL5177431 0.70 PTGS1 (0.30)
Bromide SCHEMBL1061718 0.70 PTGS1 (0.30)
SCHEMBL3278812 0.69 MMP1 (0.35) EPHX2
Succinic Acid SCHEMBL17363356 0.69 LMNA (0.42) LMNAKDM4CKDM4APHF8KDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036102-A1 METHOD FOR MAKING A TRANSPARENT POLYMER MATERIAL RESISTANT TO PROTEIN DEPOSIT, MATERIAL OBTAINED BY SAID METHOD, CONTACT LENSES AND INTRAOCULAR IMPLANTS MADE OF SAID MATERIAL ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2000-09-20 EP disclosed
WO-1999029750-A1 METHOD FOR MAKING A TRANSPARENT POLYMER MATERIAL RESISTANT TO PROTEIN DEPOSIT, MATERIAL OBTAINED BY SAID METHOD, CONTACT LENSES AND INTRAOCULAR IMPLANTS MADE OF SAID MATERIAL ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1999-06-17 WO disclosed