SCHEMBL6889929

SCHEMBL6889929

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TAAR1 Q96RJ0 1/20 0.58
FOLH1 Q04609 3/20 0.44
EPHX1 P07099 1/20 0.41
CLCN2 P51788 1/20 0.41
TSHR P16473 1/20 0.41
PTPN1 P18031 2/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CAPN1 P07384 1/20 0.39
PTGER4 P35408 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL20576435 0.85 MEN1 (0.44) MEN1KMT2ATAAR1FOLH1EPHX1
SCHEMBL8763940 0.83 TAAR1 (0.69) MEN1KMT2ATAAR1EPHX1HTT
SCHEMBL4333892 0.81 NPC1 (0.49) MEN1KMT2ATAAR1FOLH1CLCN2
SCHEMBL157592 0.78 FOLH1 (0.53) MEN1KMT2AFOLH1CLCN2TSHR
SCHEMBL6094753 0.77 FOLH1 (0.42) MEN1KMT2ATAAR1FOLH1EPHX1
SCHEMBL17799517 0.76 FOLH1 (0.52) MEN1KMT2AFOLH1CLCN2TSHR
SCHEMBL264745 0.75 FOLH1 (0.50) TAAR1FOLH1CLCN2TSHRALDH1A1
SCHEMBL11141533 0.75 FOLH1 (0.50) TAAR1FOLH1CLCN2TSHRALDH1A1
SCHEMBL6839201 0.75 FOLH1 (0.50) TAAR1FOLH1CLCN2TSHRALDH1A1
SCHEMBL9459072 0.75 ESR1 (0.60) MEN1KMT2ATAAR1FOLH1CLCN2

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
US-20040082079-A1 Low affinity screening method GRAFFINITY PHARMACEUTICALS AG. (DE) 2004-04-29 US disclosed
EP-1360489-A1 LOW AFFINITY SCREENING METHOD Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2003-11-12 EP disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 WO disclosed