SCHEMBL6053231

SCHEMBL6053231

CC([C@H](F)C(=O)O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGES O14684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL10315705 0.84 KMT2A (0.46) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL10315707 0.84 KMT2A (0.46) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL20641024 0.84 KMT2A (0.46) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL9684904 0.83 ALDH1A1 (0.47) MEN1KMT2AHPGDLMNAALDH1A1
SCHEMBL9684900 0.83 ALDH1A1 (0.47) MEN1KMT2AHPGDLMNAALDH1A1
SCHEMBL17275362 0.81 KMT2A (0.49) MEN1KMT2AHPGDTSHRNPC1
SCHEMBL16932332 0.81 KMT2A (0.49) MEN1KMT2AHPGDTSHRNPC1
SCHEMBL28150189 0.81 KMT2A (0.49) MEN1KMT2AHPGDTSHRNPC1
SCHEMBL21960658 0.80 TSHR (0.46) MEN1KMT2AHPGDTSHRLMNA
SCHEMBL5271778 0.78 MEN1 (0.58) MEN1KMT2AHPGDTSHRNPC1

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-7034176-B2 Aminopropylphosphinic acids ASTRAZENECA AB (SE) 2006-04-25 US claimed