SCHEMBL9637173

SCHEMBL9637173

CC[C@H](C)[C@H](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 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ P2RY6 Q15077 3/20 0.46
▸ P2RY14 Q15391 3/20 0.46
▸ NT5E P21589 1/20 0.46
▸ 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 3/20 0.42
▸ CTSS P25774 3/20 0.42
▸ CTSL P07711 2/20 0.42
▸ TYMS P04818 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 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
SCHEMBL9637176 1.00 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL9637218 0.96 P2RY6 (0.44) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL9637216 0.96 P2RY6 (0.44) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL11240778 0.93 P2RY6 (0.48) P2RY6P2RY14NT5ELMNATSHR
SCHEMBL8670319 0.93 P2RY6 (0.48) P2RY6P2RY14NT5ELMNATSHR
SCHEMBL9637000 0.93 TYMS (0.44) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL9636996 0.93 TYMS (0.44) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL9638053 0.91 REN (0.44) CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL9638269 0.91 P2RY6 (0.50) P2RY6P2RY14NT5ELMNATSHR
SCHEMBL9638270 0.91 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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