SCHEMBL4333892

SCHEMBL4333892

C[C@@H](Cc1ccccc1C(=O)O)NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
FOLH1 Q04609 3/20 0.47
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CLCN2 P51788 1/20 0.43
LMNA P02545 1/20 0.43
ESR1 P03372 1/20 0.43
KCNH2 Q12809 1/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
SLC16A3 O15427 1/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL9459072 0.83 ESR1 (0.60) NPC1RAB9AFOLH1HTTMEN1
SCHEMBL2953753 0.81 ATM (0.47) FOLH1
SCHEMBL6889929 0.81 MEN1 (0.58) NPC1RAB9AFOLH1HTTMEN1
SCHEMBL157592 0.80 FOLH1 (0.53) FOLH1HTTMEN1KMT2ACLCN2
SCHEMBL18422575 0.80 LMNA (0.50) NPC1RAB9ALMNAESR1KCNH2
SCHEMBL4328756 0.80 CA12 (0.43) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL17799517 0.79 FOLH1 (0.52) FOLH1HTTMEN1KMT2ACLCN2
SCHEMBL11141533 0.77 FOLH1 (0.50) FOLH1CLCN2TSHRALDH1A1ALOX15
SCHEMBL264745 0.77 FOLH1 (0.50) FOLH1CLCN2TSHRALDH1A1ALOX15
SCHEMBL6839201 0.77 FOLH1 (0.50) FOLH1CLCN2TSHRALDH1A1ALOX15

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
WO-2009147221-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO disclosed