SCHEMBL9841003

SCHEMBL9841003

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 1/20 0.44
CPA1 P15085 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CPB1 P15086 1/20 0.42
CPA3 P15088 1/20 0.42
CPB2 Q96IY4 1/20 0.42
LMNA P02545 1/20 0.41
LTA4H P09960 2/20 0.40
TSPO P30536 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL10453045 0.84 ABCB1 (0.50) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL5654192 0.81 TRPA1 (0.55) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL8950842 0.79 TSHR (0.44) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL16932332 0.79 KMT2A (0.49) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL14541169 0.79 TSHR (0.44) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL17275362 0.79 KMT2A (0.49) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL8950839 0.79 TSHR (0.44) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL28150189 0.79 KMT2A (0.49) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL428101 0.78 TSHR (0.46) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL26989268 0.78 TSHR (0.46) MEN1KMT2AHPGDNPC1RAB9A

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-4990669-A Optically active α-amino aldehydes, process for the preparation thereof, and the use thereof for the stereoselective preparation of optically active β-amino alcohols BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed