SCHEMBL7101896

SCHEMBL7101896

CCC=COC(=O)c1ccccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 4/20 0.46
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 2/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 2/20 0.39
AKR1C3 P42330 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
USP2 O75604 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
SCHEMBL6293503 0.93 TSHR (0.52) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6307976 0.84 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRTDP1L3MBTL1
SCHEMBL6307972 0.84 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRTDP1L3MBTL1
SCHEMBL11518347 0.83 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRTDP1L3MBTL1
SCHEMBL31366960 0.83 TSHR (0.46) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL27412731 0.81 ALDH1A1 (0.52) ALDH1A1ALOX15TSHRTDP1LMNA
SCHEMBL2434555 0.81 LMNA (0.50) ALDH1A1TSHRTDP1L3MBTL1TP53
SCHEMBL2434553 0.81 LMNA (0.50) ALDH1A1TSHRTDP1L3MBTL1TP53
SCHEMBL30497788 0.81 CTSD (0.49) ALDH1A1TSHRL3MBTL1TP53MAPK1
SCHEMBL28820065 0.80 ALDH1A1 (0.49) ALDH1A1ALOX15TSHRTDP1L3MBTL1

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
EP-1194124-B1 TASTE MASKED COMPOSITIONS RANBAXY LAB LTD (IN) 2003-09-03 EP claimed
US-6565877-B1 Blend of methacrylic acid copolymer and polyester RANBAXY LABORATORIES LIMITED (IN) 2003-05-20 US claimed
EP-1194124-A1 TASTE MASKED COMPOSITIONS Ranbaxy Laboratories Limited (IN) 2002-04-10 EP claimed
WO-2000076479-A1 TASTE MASKED COMPOSITIONS RANBAXY LABORATORIES LIMITED (IN) 2000-12-21 WO claimed