SCHEMBL8935350

SCHEMBL8935350

COc1c(C)c(C)c(OC)c(CCC(C)(O)CCO)c1C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31

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
SCHEMBL8935340 1.00 IMPDH2 (0.35) IMPDH2IMPDH1CA2CA4
SCHEMBL9617995 0.88 IMPDH2 (0.33) IMPDH2IMPDH1CA2CA4
SCHEMBL9617996 0.88 IMPDH2 (0.33) IMPDH2IMPDH1CA2CA4
SCHEMBL8563125 0.78 IMPDH2 (0.49) IMPDH2IMPDH1CA2CA4
SCHEMBL10406721 0.77 PTPN1 (0.51)
SCHEMBL10405563 0.77 IMPDH2 (0.35) IMPDH2IMPDH1
SCHEMBL10916603 0.77 IMPDH2 (0.33) IMPDH2IMPDH1
SCHEMBL10916627 0.77 IMPDH2 (0.33) IMPDH2IMPDH1
SCHEMBL8564172 0.76 IMPDH2 (0.41) IMPDH2IMPDH1CA2CA4
SCHEMBL1784681 0.74 IMPDH1 (0.40) IMPDH2IMPDH1CA2CA4

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
JP-3246242-A None JP disclosed
US-5504219-A Optically active compounds and intermediates thereof, and process for manufacturing same ASAHI DENKA KOGYO K.K. (JP) 1996-04-02 US disclosed
US-5352845-A Process for manufacture of optically active saturated compounds ASAHI DENKA KOGYO K.K. (JP) 1994-10-04 US disclosed
US-5262552-A Optically active compounds and intermediates thereof, and process for manufacturing same ASAHI DENKA KOGYO K.K. (JP) 1993-11-16 US disclosed
JP-H03246242-A OPTICALLY ACTIVE PENTANE DERIVATIVE ASAHI DENKA KOGYO KK 1991-11-01 JP disclosed