SCHEMBL17763380

SCHEMBL17763380

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 2/20 0.45
▸ CTSG P08311 2/20 0.45
▸ CTRB1 P17538 2/20 0.45
▸ CMA1 P23946 2/20 0.45
▸ MAPT P10636 3/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ ADRB2 P07550 3/20 0.43
▸ ADRB1 P08588 3/20 0.43
▸ ADRB3 P13945 3/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41

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 0.89 ADRB1 (0.48) MAPTADRB2ADRB1ADRB3ALDH1A1
SCHEMBL17763381 0.86 ALDH1A1 (0.60) MAPTADRB2ADRB1ADRB3ALDH1A1
SCHEMBL17763402 0.84 ALDH1A1 (0.44) MAPTADRB2ADRB1ADRB3ALDH1A1
SCHEMBL17763340 0.82 MEN1 (0.61) MAPTADRB2ADRB1ADRB3ALDH1A1
SCHEMBL5823658 0.72 ALDH1A1 (0.64) ALDH1A1HPGD
Water SCHEMBL8631908 0.71 ABCB1 (0.65) MAPTALDH1A1MEN1KMT2ACYP2D6
Water SCHEMBL51537 0.70 ABCB1 (0.64) MAPTALDH1A1MEN1KMT2ACYP2D6
SCHEMBL7566194 0.70 NPC1 (0.75) MAPTTMEM97SIGMAR1HPGDMEN1
SCHEMBL2277722 0.69 ABCB1 (0.67) MAPTALDH1A1MEN1KMT2ACYP2D6
SCHEMBL6110358 0.69 ALDH1A1 (0.66) MAPTALDH1A1HPGDMEN1KMT2A

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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