SCHEMBL10736070

SCHEMBL10736070

O=C(O)COC(=O)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.53
▸ PTPN11 Q06124 1/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ MITF O75030 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ MGLL Q99685 3/20 0.51
▸ PTGIR P43119 1/20 0.51
▸ ROCK2 O75116 2/20 0.51
▸ HPGD P15428 1/20 0.50
▸ CRHBP P24387 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ ENPP2 Q13822 1/20 0.50
▸ NR1H4 Q96RI1 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ FFAR1 O14842 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
SCHEMBL11291362 0.89 PTGIR (0.60) NPC1RAB9ASMN1; SMN2PTGIRHPGD
SCHEMBL11079563 0.83 RAB9A (0.71) PTPN1PTPN11NPC1RAB9ASMN1; SMN2
SCHEMBL6376610 0.81 L3MBTL1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL8238303 0.81 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2092941 0.78 SMN1; SMN2 (0.68) PTPN1PTPN11NPC1RAB9ASMN1; SMN2
SCHEMBL2056322 0.78 RAB9A (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL4630959 0.77 LMNA (0.56) NPC1RAB9ASMN1; SMN2MITFALDH1A1
SCHEMBL2054580 0.77 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2HTTNR1H4
SCHEMBL2092940 0.77 PTPN1 (0.58) PTPN1PTPN11NPC1RAB9ASMN1; SMN2
SCHEMBL9128045 0.76 ROCK2 (0.69) NPC1RAB9ASMN1; SMN2ALDH1A1MGLL

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-0220848-A2 7-Oxabicycloheptane substituted amide-carbamate prostaglandin analogs E.R. Squibb & Sons, Inc. (US) 1987-05-06 — — EP disclosed
US-4652576-A CARDIOVASCULAR DISORDERS, ANTICOAGULANTS E. R. SQUIBB & SONS, INC. (US) 1987-03-24 — — US disclosed
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