SCHEMBL12540784

SCHEMBL12540784

CC1(COCc2ccc(COCc3ccc(COCC4(C)COC4)cc3)cc2)COC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
ACACB O00763 1/20 0.36
EPHX1 P07099 1/20 0.35
GPR84 Q9NQS5 2/20 0.35
KCNH2 Q12809 2/20 0.35
DHFR P00374 1/20 0.35
DCPS Q96C86 1/20 0.35
TACR1 P25103 2/20 0.33
FFAR1 O14842 1/20 0.31
SLC5A1 P13866 1/20 0.30
SLC5A2 P31639 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL385146 0.98 EPHX1 (0.37) TSHRACACBEPHX1GPR84KCNH2
SCHEMBL17857761 0.95 ACACB (0.34) TSHRACACBEPHX1GPR84KCNH2
SCHEMBL9936046 0.93 ACACB (0.34) TSHRACACBEPHX1GPR84KCNH2
SCHEMBL20175949 0.90 IDO1 (0.40) ACACBGPR84KCNH2DHFRDCPS
SCHEMBL5423335 0.89 TSHR (0.48) TSHRDHFRDCPSTACR1
SCHEMBL13320413 0.87 TSHR (0.34) TSHRACACBEPHX1GPR84KCNH2
SCHEMBL14207637 0.85 ALDH1A1 (0.33) ACACBGPR84KCNH2DHFRDCPS
SCHEMBL12101385 0.84 FFAR1 (0.38) TSHRGPR84DHFRDCPSTACR1
SCHEMBL9950467 0.83 TSHR (0.33) TSHRACACBEPHX1GPR84
SCHEMBL24933884 0.82 TSHR (0.45) TSHRTACR1

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-9065150-B2 Electrolyte material, and battery material and secondary battery using said electrolyte material NIPPON SHOKUBAI CO., LTD. (JP) 2015-06-23 US disclosed
US-20120244427-A1 ELECTROLYTE MATERIAL, AND BATTERY MATERIAL AND SECONDARY BATTERY USING SAID ELECTROLYTE MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 2012-09-27 US disclosed