SCHEMBL10608672

SCHEMBL10608672

O=C(O)OC1(c2ccccc2)COC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.37
▸ OPRM1 P35372 4/20 0.36
▸ OPRD1 P41143 3/20 0.36
▸ OPRK1 P41145 3/20 0.36
▸ CHRM2 P08172 3/20 0.36
▸ CHRM4 P08173 3/20 0.36
▸ CHRM5 P08912 3/20 0.36
▸ CHRM1 P11229 3/20 0.36
▸ CHRM3 P20309 3/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ELOVL1 Q9BW60 1/20 0.35
▸ F2 P00734 1/20 0.34
▸ MAOB P27338 2/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34

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
SCHEMBL10604944 0.84 WDR91 (0.41) TSHROPRM1HDAC4ALDH1A1
SCHEMBL4699835 0.82 AKR1C1 (0.45) LMNAAKR1C1OPRM1OPRD1OPRK1
SCHEMBL28564476 0.80 ELANE (0.42) LMNATSHRCYP2C19OPRM1OPRD1
SCHEMBL28555572 0.79 MAPT (0.36) LMNATSHRCYP2C19OPRM1OPRD1
SCHEMBL6036843 0.78 AKR1C1 (0.52) LMNAAKR1C1OPRM1OPRD1OPRK1
SCHEMBL9191673 0.77 AKR1C1 (0.50) AKR1C1OPRM1OPRL1MEN1KMT2A
SCHEMBL12491969 0.75 LMNA (0.43) LMNATSHRKMT2AF2SMN1; SMN2
SCHEMBL373568 0.74 OPRM1 (0.50) AKR1C1OPRM1OPRD1OPRK1OPRL1
SCHEMBL3413530 0.74 ALDH1A1 (0.42) TSHRAKR1C1OPRM1OPRD1OPRK1
SCHEMBL28452149 0.74 ALOX5 (0.49) OPRM1OPRD1OPRK1OPRL1MEN1

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
EP-0247481-B1 PROCESS FOR THE PREPARATION OF 2,2-BIS-CHLOROMETHYL-ALKANE-CARBOXYLIC-ACID CHLORIDES BAYER AG (DE) 1989-11-08 — — EP disclosed
EP-0247481-A1 Process for the preparation of 2,2-bis-chloromethyl-alkane-carboxylic-acid chlorides BAYER AG (DE) 1987-12-02 — — EP disclosed
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