SCHEMBL28877762

SCHEMBL28877762

CC[C@](CO)(C(=O)O)N(Cl)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 3/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 3/20 0.37
MAPT P10636 1/20 0.35
JAK2 O60674 1/20 0.35
PAX8 Q06710 1/20 0.35
RIPK1 Q13546 2/20 0.34

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
SCHEMBL3876432 0.73 KMT2A (0.47) ALDH1A1KMT2AHTTLMNAGLA
SCHEMBL3380721 0.69 KMT2A (0.43) ALDH1A1KMT2AHTTLMNAGLA
SCHEMBL27276534 0.67 KMT2A (0.41) ALDH1A1KMT2AHTTLMNAGLA
SCHEMBL7584563 0.66 CYP1A2 (0.42) ALDH1A1KMT2AHTTLMNAGLA
SCHEMBL27843740 0.66 HIF1A (0.47) ALDH1A1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL6928667 0.66 KMT2A (0.43) ALDH1A1KMT2AHTTLMNAGLA
SCHEMBL3176699 0.65 CYP1A2 (0.50) ALDH1A1KMT2AHTTTSHRSMN1; SMN2
SCHEMBL3156128 0.63 ALDH1A1 (0.48) ALDH1A1KMT2AHTTLMNAGLA
SCHEMBL842163 0.63 RIPK1 (0.47) ALDH1A1KMT2AHTTLMNATSHR
SCHEMBL5669770 0.63 ALDH1A1 (0.44) ALDH1A1KMT2AHTTLMNAGLA

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-115266977-A HPLC method for determining DL-p-chlorophenyl serine ethyl ester content 山东普洛汉兴医药有限公司 2022-11-01 CN disclosed