SCHEMBL10884608

SCHEMBL10884608

COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C(=O)[C@@H](N)Cc2ccc(OC)cc2)[C@H]2[C@@H](O)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRDMT1 O14717 1/20 0.51
▸ NNMT P40261 1/20 0.48
▸ ATM Q13315 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPEPPS P55786 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ ANPEP P15144 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ PAX8 Q06710 1/20 0.47
▸ AHCY P23526 2/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ CARM1 Q86X55 2/20 0.45

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
SCHEMBL10886849 1.00 TRDMT1 (0.51) TRDMT1NNMTATMSMN1; SMN2NPEPPS
SCHEMBL10884690 0.98 TRDMT1 (0.49) TRDMT1NNMTATMSMN1; SMN2NPEPPS
SCHEMBL11060597 0.91 TRDMT1 (0.54) TRDMT1NNMTATMSMN1; SMN2NPEPPS
SCHEMBL11054057 0.91 TRDMT1 (0.59) TRDMT1NNMTATMSMN1; SMN2NPEPPS
SCHEMBL11059822 0.89 TRDMT1 (0.57) TRDMT1NNMTATMSMN1; SMN2NPEPPS
SCHEMBL10886529 0.87 TRDMT1 (0.56) TRDMT1NNMTATMSMN1; SMN2NPEPPS
SCHEMBL10883715 0.86 TRDMT1 (0.49) TRDMT1NNMTATMSMN1; SMN2NPEPPS
SCHEMBL11060590 0.85 NPEPPS (0.51) TRDMT1NNMTATMSMN1; SMN2NPEPPS
SCHEMBL10884594 0.84 NPEPPS (0.50) TRDMT1ATMSMN1; SMN2NPEPPSTP53
SCHEMBL10882618 0.83 AHCY (0.49) TRDMT1NNMTATMHIF1AAHCY

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-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 — — EP disclosed
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 — — US disclosed
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