SCHEMBL5319081

SCHEMBL5319081

Cc1ccccc1O[C@H](C(=O)O)[C@H](Oc1ccccc1C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.45
CASP1 P29466 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NOTUM Q6P988 2/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
TSHR P16473 4/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
SLC6A2 P23975 3/20 0.42
CHRM1 P11229 2/20 0.42
ADRA2B P18089 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42

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
SCHEMBL1162259 1.00 KMT2A (0.46) KMT2AHPGDMEN1CASP1KDM4E
SCHEMBL555424 1.00 KMT2A (0.46) KMT2AHPGDMEN1CASP1KDM4E
SCHEMBL11713610 0.91 KMT2A (0.46) KMT2AHPGDMEN1CASP1KDM4E
SCHEMBL28319743 0.90 PPARG (0.48) KMT2AHPGDMEN1CASP1CYP1A2
SCHEMBL1008975 0.89 KDM4E (0.43) KMT2AHPGDMEN1CASP1KDM4E
SCHEMBL9423878 0.84 KMT2A (0.46) KMT2AHPGDMEN1NOTUMRXRA
SCHEMBL12310141 0.82 KMT2A (0.68) KMT2AHPGDMEN1KDM4EALDH1A1
SCHEMBL31002548 0.82 KMT2A (0.68) KMT2AHPGDMEN1KDM4EALDH1A1
SCHEMBL31069134 0.82 KMT2A (0.68) KMT2AHPGDMEN1KDM4EALDH1A1
SCHEMBL8935823 0.82 KMT2A (0.68) KMT2AHPGDMEN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007075630-A1 METHOD FOR PRODUCING 3-AMINOPIPERIDINE DIASTEREOMER DOW GLOBAL TECHNOLOGIES INC. (US) 2007-07-05 WO claimed
WO-2007075630-A1 METHOD FOR PRODUCING 3-AMINOPIPERIDINE DIASTEREOMER DOW GLOBAL TECHNOLOGIES INC. (US) 2007-07-05 WO disclosed
WO-2007075630-A1 METHOD FOR PRODUCING 3-AMINOPIPERIDINE DIASTEREOMER DOW GLOBAL TECHNOLOGIES INC. (US) 2007-07-05 WO disclosed