SCHEMBL9031227

SCHEMBL9031227

CC[C@@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 2/20 0.81
▸ PDE4D Q08499 2/20 0.81
▸ NR1I2 O75469 1/20 0.81
▸ HMGCR P04035 5/20 0.77
▸ RXRA P19793 3/20 0.77
▸ PRKAA2 P54646 1/20 0.55
▸ CYP2C9 P11712 3/20 0.43
▸ SIRT6 Q8N6T7 2/20 0.43
▸ TBXA2R P21731 2/20 0.43
▸ ADRA1A P35348 2/20 0.43
▸ ABCC3 O15438 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ CCKAR P32238 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ SLC10A1 Q14973 1/20 0.43
▸ ESR1 P03372 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ PDE4A P27815 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
SCHEMBL13403184 1.00 NR4A2 (0.81) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL14273651 1.00 NR4A2 (0.81) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL14262699 1.00 NR4A2 (0.81) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL13776435 0.92 NR4A2 (0.81) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL14569976 0.90 NR4A2 (0.87) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL10049193 0.90 NR4A2 (0.87) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL14569977 0.90 NR4A2 (0.87) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL12058587 0.90 NR4A2 (0.80) NR4A2PDE4DNR1I2HMGCRRXRA
Pitavastatin SCHEMBL10049191 0.90 PDE4D (1.00) NR4A2PDE4DNR1I2HMGCRRXRA
Pitavastatin SCHEMBL3369 0.90 PDE4D (1.00) NR4A2PDE4DNR1I2HMGCRRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7339062-B2 Method for producing a 3,5-dihydroxy-6-heptenoate NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-03-04 — — US disclosed
EP-0742209-A2 A process for producing an optically active quinolinemevalonolactone and a process for producing an optically active quinolinemevalonic acid salt NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1996-11-13 — — EP disclosed
US-5514804-A DEHYDRATION AND ESTERIFICATION WITH CYCLIZATION AND SALT FORMATION NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1996-05-07 — — US disclosed
US-5473075-A Optical resolution after forming amine salt, separating; intermediate NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-12-05 — — US disclosed
US-5284953-A Treatment and prevention of hyperlipemia and arteriosclerosis NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1994-02-08 — — US disclosed
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