SCHEMBL9751648

SCHEMBL9751648

CCc1cc(C(=O)O)ccc1-c1ccccc1.O=C(O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.58
EGFR P00533 3/20 0.55
RXRA P19793 6/20 0.54
RXRB P28702 5/20 0.54
SRD5A2 P31213 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 2/20 0.50
MAP4K4 O95819 1/20 0.49
HPGD P15428 2/20 0.47
KMO O15229 1/20 0.47
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
RARB P10826 1/20 0.47
RARG P13631 1/20 0.47
RXRG P48443 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL2635961 0.95 BCL2 (0.50) BCL2EGFRRXRARXRBSRD5A2
SCHEMBL9652658 0.93 SRD5A2 (0.57) BCL2EGFRRXRARXRBSRD5A2
SCHEMBL6884735 0.85 RXRA (0.51) BCL2RXRARXRBSRD5A2RARB
SCHEMBL12505671 0.84 PPARG (0.50) BCL2EGFRSMN1; SMN2L3MBTL1MAPT
SCHEMBL3588665 0.83 TTR (0.50) EGFRRXRARXRBSRD5A2SMN1; SMN2
SCHEMBL2040404 0.83 FOLH1 (0.58) BCL2EGFRRXRARXRBSRD5A2
SCHEMBL25126172 0.83 RXRA (0.59) BCL2RXRARXRBSRD5A2SMN1; SMN2
SCHEMBL717095 0.82 ALDH1A1 (0.54) BCL2RXRARXRBSRD5A2SMN1; SMN2
SCHEMBL6884342 0.82 SRD5A2 (0.53) BCL2EGFRRXRARXRBSRD5A2
SCHEMBL4530801 0.82 MKNK1 (0.46) BCL2EGFRSRD5A2SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0428722-A4 PREPARATION OF A POLYETHYLENE PHTHALATE OR A POLYETHYLENE NAPHTHALATE 1991-11-06 EP disclosed
EP-0428722-A1 PREPARATION OF A POLYETHYLENE PHTHALATE OR A POLYETHYLENE NAPHTHALATE AMOCO CORPORATION (US) 1991-05-29 EP disclosed
WO-1990014375-A1 PREPARATION OF A POLYETHYLENE PHTHALATE OR A POLYETHYLENE NAPHTHALATE AMOCO CORPORATION (US) 1990-11-29 WO disclosed