SCHEMBL9622308

SCHEMBL9622308

CC1(C)OCC(COC(=O)C(Cc2ccccc2)CC(Cc2ccccc2)C(=O)O)O1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
CYP1A2 P05177 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
FOLH1 Q04609 2/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.40
CPA3 P15088 3/20 0.39
CPA1 P15085 2/20 0.39
CPB1 P15086 1/20 0.39
CPB2 Q96IY4 1/20 0.39
CA2 P00918 1/20 0.38

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
SCHEMBL9622311 1.00 TMEM97 (0.47) TMEM97SIGMAR1CYP1A2SLC1A3SLC1A2
SCHEMBL9622307 1.00 TMEM97 (0.47) TMEM97SIGMAR1CYP1A2SLC1A3SLC1A2
SCHEMBL9259915 0.81 TMEM97 (0.41) TMEM97SIGMAR1CYP1A2FOLH1CPA3
SCHEMBL9259921 0.81 TMEM97 (0.41) TMEM97SIGMAR1CYP1A2FOLH1CPA3
SCHEMBL839242 0.77 CAPN1 (0.43) TMEM97SIGMAR1
SCHEMBL392513 0.77 CAPN1 (0.43) TMEM97SIGMAR1
SCHEMBL16241096 0.77 CAPN1 (0.43) TMEM97SIGMAR1
SCHEMBL27559601 0.77 TMEM97 (0.46) TMEM97SIGMAR1CA2
SCHEMBL6933031 0.75 ALDH1A1 (0.52) TMEM97SIGMAR1CYP1A2CA2
SCHEMBL2493185 0.75 ALDH1A1 (0.52) TMEM97SIGMAR1CYP1A2CA2

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
US-5166212-A Hypotensive agents, analgesics CIBA-GEIGY CORPORATION (US) 1992-11-24 US disclosed
US-5021430-A Enkephalinase inhibitors, analgesics, hypotensives CIBA-GEIGY CORPORATION (US) 1991-06-04 US disclosed
EP-0225292-A2 Certain N-substituted butyramide derivatives CIBA-GEIGY AG (CH) 1987-06-10 EP disclosed