SCHEMBL13608922

SCHEMBL13608922

CC(C)COC(=O)C1C(C)C2CC1C(C)C2C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ RAB9A P51151 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 2/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ HTT P42858 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
SCHEMBL13518249 0.93 TSHR (0.37) TSHRHSP90AA1HSP90AB1RAB9AALDH1A1
SCHEMBL13518250 0.87 HSP90AA1 (0.38) TSHRHSP90AA1HSP90AB1RAB9AALDH1A1
SCHEMBL1196473 0.78 TSHR (0.39) TSHRHSP90AA1HSP90AB1RAB9AALDH1A1
SCHEMBL1196371 0.75 HSP90AA1 (0.36) TSHRHSP90AA1HSP90AB1RAB9AALDH1A1
SCHEMBL13517165 0.75 HSP90AA1 (0.36) TSHRHSP90AA1HSP90AB1RAB9AALDH1A1
SCHEMBL1195465 0.74 TSHR (0.39) TSHRHSP90AA1HSP90AB1RAB9AALDH1A1
SCHEMBL1196013 0.74 ALDH1A1 (0.48) TSHRHSP90AA1HSP90AB1RAB9AALDH1A1
SCHEMBL14874427 0.74 TSHR (0.42) TSHRHSP90AA1HSP90AB1RAB9AALDH1A1
SCHEMBL14874426 0.74 TSHR (0.42) TSHRHSP90AA1HSP90AB1RAB9AALDH1A1
SCHEMBL17300388 0.74 CYP2C19 (0.39) ALDH1A1HTT

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-7622242-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-11-24 — — US disclosed
US-20090081588-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-03-26 — — US disclosed
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