SCHEMBL11059345

SCHEMBL11059345

Cc1ccccc1-c1ccc(COC2CCCO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.40
UGCG Q16739 1/20 0.40
GBA2 Q9HCG7 1/20 0.40
OXTR P30559 9/20 0.38
AVPR1A P37288 8/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
NAAA Q02083 1/20 0.37
AVPR2 P30518 1/20 0.36
AVPR1B P47901 1/20 0.36
SCN9A Q15858 1/20 0.36
TACR1 P25103 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7795519 0.81 ICAM1 (0.39) ITGB1ITGA4NAAATACR1
SCHEMBL31120281 0.80 TACR1 (0.42) NAAATACR1CYP2C9CYP2C19
SCHEMBL7445879 0.80 TACR1 (0.47) TACR1CYP1A2
SCHEMBL7093547 0.77 HRH3 (0.36) ITGB1ITGA4NAAA
SCHEMBL7795558 0.76 ALDH1A1 (0.43) ITGB1ITGA4
SCHEMBL14065905 0.76 ICAM1 (0.42) NAAATACR1
SCHEMBL4184332 0.75 KDM4C (0.47) TACR1
SCHEMBL14650437 0.75 KDM4C (0.39) ITGB1ITGA4
SCHEMBL7795616 0.75 ICAM1 (0.36) OXTRAVPR1AITGB1ITGA4NAAA
SCHEMBL7796030 0.75 ITGB1 (0.43) ITGB1ITGA4

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
US-4447605-A Di(tri-lower alkylstannyl)pyrimidine derivative and a process for producing the same RIKAGAKU KENKYUSHO (JP) 1984-05-08 US disclosed
US-4324895-A REACTION BETWEEN BIS(TRI-LOWER ALKYLSTANNYL)-5-HALOGENOURACIL AND 2-SUBSTITUTED TETRAHYDROFURAN RIKAGAKU KENKYUSHO (JP) 1982-04-13 US disclosed