SCHEMBL9637216

SCHEMBL9637216

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 2/20 0.44
▸ P2RY14 Q15391 2/20 0.44
▸ NT5E P21589 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ HBB P68871 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CTSB P07858 4/20 0.40
▸ CTSK P43235 3/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ TYMS P04818 1/20 0.40
▸ MME P08473 1/20 0.40

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
SCHEMBL9637218 1.00 P2RY6 (0.44) P2RY6P2RY14NT5ECYP3A4CYP2D6
SCHEMBL9637173 0.96 CYP3A4 (0.47) P2RY6P2RY14NT5ECYP3A4CYP2D6
SCHEMBL9637176 0.96 CYP3A4 (0.47) P2RY6P2RY14NT5ECYP3A4CYP2D6
SCHEMBL9638053 0.94 REN (0.44) P2RY6P2RY14NT5ECYP3A4CYP2D6
SCHEMBL9636996 0.93 TYMS (0.44) P2RY6P2RY14NT5ECYP3A4CYP2D6
SCHEMBL9637000 0.93 TYMS (0.44) P2RY6P2RY14NT5ECYP3A4CYP2D6
SCHEMBL9636927 0.90 TDP1 (0.42) P2RY6P2RY14NT5E
SCHEMBL9638269 0.90 P2RY6 (0.50) P2RY6P2RY14NT5ELMNATSHR
SCHEMBL11246189 0.90 P2RY6 (0.50) P2RY6P2RY14NT5ELMNATSHR
SCHEMBL11246184 0.90 P2RY6 (0.50) P2RY6P2RY14NT5ELMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268678-B1 NOVEL 5-FLUOROURIDINE COMPOUNDS AND PROCESS FOR THEIR PREPARATION FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-07-29 — — EP disclosed
US-4892939-A ANTITUMOR, ANTIVIRAL AND IMMUNOSUPRESSIVE AGENTS FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-01-09 — — US disclosed
EP-0268678-A1 NOVEL 5-FLUOROURIDINE COMPOUNDS AND PROCESS FOR THEIR PREPARATION FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-06-01 — — EP disclosed
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