SCHEMBL27600784

SCHEMBL27600784

O=CC(Cc1ccccc1F)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
C3AR1 Q16581 2/20 0.39
ALDH1A1 P00352 3/20 0.38
DPP4 P27487 3/20 0.38
FAP Q12884 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL8293920 0.78 TDP1 (0.43) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
SCHEMBL776712 0.74 KMT2A (0.43) KMT2AMEN1C3AR1ALDH1A1DPP4
SCHEMBL24427814 0.70 TACR1 (0.38) KMT2AALDH1A1TDP1SMN1; SMN2MAPT
SCHEMBL4764946 0.68 ALDH1A1 (0.41) KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL21395226 0.68 PPARG (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7802544 0.68 EPHX1 (0.44) KMT2AMEN1TDP1PKMLMNA
SCHEMBL14640355 0.68 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1LMNA
SCHEMBL8433364 0.68 TAAR1 (0.45) ALDH1A1DPP4FAPDPP8DPP9
SCHEMBL6153079 0.68 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1LMNA
SCHEMBL14640229 0.68 TAAR1 (0.45) ALDH1A1DPP4FAPDPP8DPP9

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
CN-1659155-A 1-phenylalkyl-piperazines RECORDATI IRELAND LTD (IE) 2005-08-24 CN disclosed