SCHEMBL11336522

SCHEMBL11336522

CC(Oc1ccc2c(c1)oc1cc(Cl)ccc12)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.56
▸ HPGD P15428 7/20 0.56
▸ KDM4E B2RXH2 6/20 0.54
▸ RECQL P46063 1/20 0.54
▸ TSHR P16473 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ HCRTR1 O43613 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.49
▸ MCL1 Q07820 1/20 0.48
▸ ALDH2 P05091 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ APOBEC3A P31941 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ APOBEC3G Q9HC16 1/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ TTR P02766 1/20 0.47
▸ AR P10275 1/20 0.46
▸ APEX1 P27695 1/20 0.46

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
SCHEMBL11461479 0.93 ALDH1A1 (0.57) ALDH1A1HPGDKDM4ERECQLTSHR
SCHEMBL11472640 0.82 ALDH1A1 (0.47) ALDH1A1HPGDKDM4ETSHRHCRTR1
SCHEMBL11466087 0.81 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EHCRTR1MCL1
SCHEMBL11454250 0.80 ALDH2 (0.56) ALDH1A1HPGDKDM4ETSHRHCRTR1
SCHEMBL11109344 0.80 AHR (0.45) ALDH1A1HPGDKDM4EHCRTR1MCL1
SCHEMBL11345947 0.80 HCRTR1 (0.46) ALDH1A1HPGDKDM4EHCRTR1ALDH2
SCHEMBL11460669 0.79 ALDH2 (0.44) ALDH1A1HPGDKDM4ETSHRHCRTR1
SCHEMBL11340277 0.79 HCRTR1 (0.45) ALDH1A1HPGDKDM4EHCRTR1ALDH2
SCHEMBL11346947 0.78 ALDH2 (0.43) ALDH1A1HPGDKDM4ETSHRHCRTR1
SCHEMBL9834780 0.78 ALDH1A1 (0.64) ALDH1A1HPGDKDM4ERECQLHCRTR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0035744-A1 Dibenzo-furane-oxyalkane carboxylic acid esters, process for their preparation, herbicides containing them and their use as herbicides BASF Aktiengesellschaft (DE) 1981-09-16 — — EP disclosed
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