SCHEMBL9306035

SCHEMBL9306035

O=C(O)C(CCCc1ccc(-c2ccccc2)cc1)P(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 4/20 0.57
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP12 P39900 1/20 0.48
MMP13 P45452 1/20 0.48
MMP14 P50281 1/20 0.48
ACP3 P15309 1/20 0.48
FFAR1 O14842 1/20 0.47
MME P08473 1/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC1 Q13547 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
SCHEMBL9305336 0.94 FDFT1 (0.51) FDFT1MMP2MMP9MMP12MMP13
SCHEMBL9303472 0.88 RARB (0.48) FDFT1
SCHEMBL15302634 0.86 S1PR2 (0.57) ACP3HDAC2HDAC1
SCHEMBL9544118 0.83 FDFT1 (0.71) FDFT1MMP2MMP9MMP12MMP13
SCHEMBL9417635 0.81 FDFT1 (0.50) FDFT1MMP12MME
SCHEMBL23752399 0.78 FDFT1 (0.60) FDFT1ACP3
SCHEMBL10106389 0.78 FDFT1 (0.64) FDFT1MMP2MMP9MMP12MMP13
SCHEMBL8946999 0.78 FDFT1 (0.60) FDFT1ACP3
SCHEMBL8621199 0.78 FDFT1 (0.60) FDFT1ACP3
SCHEMBL24372481 0.77 S1PR2 (0.57) FDFT1ACP3FFAR1HDAC2HDAC1

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-0601573-A1 Alpha-phosphonocarboxylate squalene synthetase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-15 EP claimed
EP-0601573-A1 Alpha-phosphonocarboxylate squalene synthetase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-15 EP disclosed
US-5312814-A Antilipemic agents or anticholesterol agents BRISTOL-MYERS SQUIBB CO. (US) 1994-05-17 US disclosed