SCHEMBL11105083

SCHEMBL11105083

CCOC1CCC(C(=O)Oc2ccc(-c3ccc(F)cc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HTT P42858 1/20 0.47
ELANE P08246 2/20 0.43
MAPT P10636 2/20 0.39
F2 P00734 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL11105075 1.00 KMT2A (0.47) KMT2ASMN1; SMN2TDP1HTTELANE
SCHEMBL11102589 0.91 KMT2A (0.44) KMT2ASMN1; SMN2TDP1HTTELANE
SCHEMBL11102586 0.91 KMT2A (0.44) KMT2ASMN1; SMN2TDP1HTTELANE
SCHEMBL11100906 0.90 FAAH (0.43) KMT2ASMN1; SMN2TDP1HTTELANE
SCHEMBL11100904 0.90 FAAH (0.43) KMT2ASMN1; SMN2TDP1HTTELANE
SCHEMBL11102984 0.88 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2TDP1HTTELANE
SCHEMBL11102981 0.88 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2TDP1HTTELANE
SCHEMBL11110294 0.88 FAAH (0.42) KMT2ASMN1; SMN2TDP1HTTELANE
SCHEMBL11110290 0.88 FAAH (0.42) KMT2ASMN1; SMN2TDP1HTTELANE
SCHEMBL9842435 0.87 APP (0.40) KMT2ASMN1; SMN2TDP1HTTALDH1A1

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
US-4473487-A 4-Fluorobiphenyl derivatives, their preparation, and dielectrics and electro-optical display element containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-09-25 US disclosed