SCHEMBL9808697

SCHEMBL9808697

COc1cc(C(C)C(=O)O)ccc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
F2 P00734 1/20 0.57
F10 P00742 1/20 0.57
PRSS1 P07477 1/20 0.57
PRSS2 P07478 1/20 0.57
F7 P08709 1/20 0.57
F3 P13726 1/20 0.57
PRSS3 P35030 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
ALDH1A1 P00352 1/20 0.55
HTT P42858 1/20 0.55
AKR1C3 P42330 2/20 0.54
AKR1C2 P52895 2/20 0.54
CTSV O60911 1/20 0.53

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
SCHEMBL10921479 0.88 F2 (0.58) HPGDNPC1RAB9ASMN1; SMN2F2
SCHEMBL29085939 0.85 AKR1C3 (0.49) HPGDNPC1RAB9ASMN1; SMN2F2
SCHEMBL12738664 0.84 NPC1 (0.55) HPGDNPC1RAB9ASMN1; SMN2F2
SCHEMBL7962444 0.84 HPGD (0.56) HPGDNPC1RAB9ASMN1; SMN2F2
SCHEMBL7962440 0.84 HPGD (0.56) HPGDNPC1RAB9ASMN1; SMN2F2
SCHEMBL6373010 0.84 HPGD (0.56) HPGDNPC1RAB9ASMN1; SMN2F2
SCHEMBL3858317 0.84 RAB9A (0.50) HPGDRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6246976 0.83 HPGD (0.55) HPGDNPC1RAB9ASMN1; SMN2F2
SCHEMBL19734616 0.83 NPC1 (0.57) HPGDNPC1RAB9ASMN1; SMN2F2
SCHEMBL14168120 0.83 NPC1 (0.57) HPGDNPC1RAB9ASMN1; SMN2F2

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
US-5013759-A Phenylacetic acid amide or thioamide derivatives THE PROCTER & GAMBLE COMPANY (US) 1991-05-07 US disclosed
EP-0206609-A1 Compounds and compositions having anti-inflammatory and analgesic activity THE PROCTER & GAMBLE COMPANY (US) 1986-12-30 EP disclosed