SCHEMBL17763340

SCHEMBL17763340

C[N+](C)(CC(O)COc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ MAPT P10636 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ PKM P14618 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ APOBEC3A P31941 1/20 0.52
▸ APOBEC3G Q9HC16 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.48
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ GAA P10253 3/20 0.46
▸ FFAR1 O14842 1/20 0.45
▸ ADRB2 P07550 1/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ ADRB3 P13945 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL17763398 0.87 ADRB1 (0.48) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL17763381 0.84 ALDH1A1 (0.60) MEN1KMT2AMAPTALDH1A1ADRB2
SCHEMBL17763402 0.82 ALDH1A1 (0.44) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL17763380 0.82 PRSS1 (0.45) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL15372411 0.80 RAB9A (0.49) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL5821382 0.73 KMT2A (0.61) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL7270186 0.72 ALDH1A1 (0.68) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL8064713 0.71 NPC1 (0.62) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL27783969 0.70 MAPK1 (0.56) MEN1KMT2AMAPTALDH1A1MAPK1
Hydrochloric Acid SCHEMBL11456595 0.70 ALDH1A1 (0.48) MEN1KMT2AMAPTALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081612-B1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES CEMEDINE CO LTD (JP) 2018-11-14 — — EP disclosed
US-9718999-B2 Photocurable composition having adhesive properties CEMEDINE CO., LTD (JP) 2017-08-01 — — US disclosed
US-20160312089-A1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES CEMEDINE CO., LTD. (JP) 2016-10-27 — — US disclosed
EP-3081612-A1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES Cemedine Co., Ltd. (JP) 2016-10-19 — — EP disclosed
US-20160152783-A1 PHOTOCURABLE COMPOSITION CEMEDINE CO., LTD. (JP) 2016-06-02 — — US disclosed
EP-3023462-A1 PHOTOCURABLE COMPOSITION Cemedine Co., Ltd. (JP) 2016-05-25 — — EP disclosed
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