SCHEMBL7596271

SCHEMBL7596271

CC(=O)OC=CC(C)OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
GALR3 O60755 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ALOX15 P16050 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
SCHEMBL7596268 1.00 TSHR (0.44) TSHRGALR3MAPTBLMSMN1; SMN2
SCHEMBL5505260 0.84 TSHR (0.46) TSHRGALR3MAPTBLMSMN1; SMN2
SCHEMBL29860909 0.83 TSHR (0.55) TSHRGALR3MAPTBLMSMN1; SMN2
SCHEMBL8071264 0.82 TSHR (0.33) TSHR
SCHEMBL3237619 0.81
SCHEMBL3237622 0.81
SCHEMBL11039187 0.78 TSHR (0.50) TSHRGALR3MAPTBLMSMN1; SMN2
SCHEMBL11039188 0.78 TSHR (0.50) TSHRGALR3MAPTBLMSMN1; SMN2
SCHEMBL9337676 0.78
SCHEMBL9337672 0.78

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
EP-0867427-B1 Process for producing branched aldehydes KURARAY CO (JP) 2002-11-06 EP disclosed
US-5932761-A Process for producing branched aldehydes KURARAY CO., LTD. (JP) 1999-08-03 US disclosed
EP-0867427-A1 Process for producing branched aldehydes KURARAY CO., LTD. (JP) 1998-09-30 EP disclosed
US-4150239-A DIACETATES, ACETIC ACID, BUTADIENE MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1979-04-17 US disclosed
US-4121039-A REACTING CONJUGATED DIENE WITH OXYGEN, CATALYST SELECTIVITY GAF CORPORATION (US) 1978-10-17 US disclosed