SCHEMBL20640867

SCHEMBL20640867

CC(C(=O)O)c1ccccc1CP(=O)(O)O.CCCC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MGLL Q99685 1/20 0.34

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
SCHEMBL5035394 0.78 ACP3 (0.45) —
SCHEMBL30222272 0.66 PTGS2 (0.46) HPGDALDH1A1CYP3A4KDM4ELMNA
SCHEMBL5112475 0.66 PTGS2 (0.46) HPGDALDH1A1CYP3A4KDM4ELMNA
SCHEMBL5983552 0.66 PTGS2 (0.46) HPGDALDH1A1CYP3A4KDM4ELMNA
SCHEMBL2715836 0.66 — —
SCHEMBL22732629 0.66 — —
Benzyl Carbamate SCHEMBL1741991 0.65 CYP1A2 (0.47) ALDH1A1MGLL
SCHEMBL9448847 0.65 MAPT (0.43) SMN1; SMN2
SCHEMBL28643077 0.65 FABP4 (0.43) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL31055743 0.64 EPHX1 (0.48) HPGDKMT2A

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-3651758-A1 PROBENECID FOR USE IN TREATING EPILEPTIC DISEASES, DISORDERS OR CONDITIONS Paris Sciences et Lettres - Quartier Latin (FR) 2020-05-20 — — EP disclosed
WO-2019012109-A1 PROBENECID FOR USE IN TREATING EPILEPTIC DISEASES, DISORDERS OR CONDITIONS PARIS SCIENCES ET LETTRES - QUARTIER LATIN (FR) 2019-01-17 — — WO disclosed
Send feedback