SCHEMBL7994823

SCHEMBL7994823

CN(CCOc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.56
KDM4E B2RXH2 6/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.55
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.50

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
Hydrochloric Acid SCHEMBL11854289 0.98 LTA4H (0.54) LTA4HKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL10828180 0.93 LTA4H (0.68) LTA4HKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL19760406 0.87 LTA4H (0.54) LTA4HKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL10829140 0.87 GAA (0.62) LTA4HKDM4ELMNA
SCHEMBL10829172 0.87 LTA4H (0.69) LTA4HMEN1KMT2A
SCHEMBL11854284 0.86 LTA4H (0.53) LTA4HKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL21595690 0.86 DRD2 (0.60) KDM4ESMN1; SMN2MEN1KMT2APOLB
SCHEMBL2476605 0.86 KDM4E (0.49) LTA4HKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL21595882 0.84 HRH3 (0.58) KDM4ESMN1; SMN2MEN1KMT2APOLB
SCHEMBL21595960 0.84 KDM4E (0.68) LTA4HKDM4ESMN1; SMN2MEN1KMT2A

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-2019244066-A2 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2019-12-26 WO disclosed
US-6294502-B1 Thermally-responsive record material BAYER AKTIENGESELLSCHAFT (DE) 2001-09-25 US disclosed
WO-1999061251-A1 THERMALLY-RESPONSIVE RECORD MATERIAL CONTAINING A CARBAMATE COMPONENT BAYER AKTIENGESELLSCHAFT (DE) 1999-12-02 WO disclosed