SCHEMBL9079587

SCHEMBL9079587

CCOC(=O)c1ccc(CP(=O)(O)OCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA12 O43570 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAOA P21397 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 4/20 0.47
HTT P42858 3/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL510962 0.87 MEN1 (0.56) MEN1KMT2ACA1CA2CA12
SCHEMBL915436 0.87 LOXL2 (0.53) MEN1KMT2ACA1CA2CA12
SCHEMBL6147651 0.87 CA1 (0.58) MEN1KMT2ACA1CA2CA12
SCHEMBL17488978 0.84 PPARD (0.50) SMN1; SMN2NPSR1
SCHEMBL915443 0.83 ALDH1A1 (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL915650 0.83 LOXL2 (0.49) MEN1KMT2ACA1CA2CA12
SCHEMBL916358 0.83 LOXL2 (0.49) MEN1KMT2ACA1CA2CA12
SCHEMBL914830 0.83 LOXL2 (0.49) MEN1KMT2ACA1CA2CA12
SCHEMBL6147369 0.82 CA12 (0.61) MEN1KMT2ACA1CA2CA12
SCHEMBL914541 0.81 PPARD (0.44) MEN1KMT2ALMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5547983-A Aromatic and polycyclic compounds and their use in human or veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1996-08-20 US disclosed