SCHEMBL11232248

SCHEMBL11232248

O=C(O)C(Cc1ccco1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
PKM P14618 2/20 0.48
POLB P06746 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN7 P35236 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
ESR2 Q92731 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 3/20 0.47
ALOX5 P09917 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
EPHX2 P34913 2/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL25284288 0.84 ALOX5 (0.51) SLC1A3SLC1A2SLC1A1POLBPTPN7
SCHEMBL762539 0.82 ALDH1A1 (0.47) SLC1A3SLC1A2SLC1A1PKMPOLB
SCHEMBL1663153 0.82 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1PKMPOLB
SCHEMBL16683909 0.82 ALDH1A1 (0.47) SLC1A3SLC1A2SLC1A1PKMPOLB
SCHEMBL599915 0.82 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1PKMPOLB
SCHEMBL16683911 0.82 ALDH1A1 (0.47) SLC1A3SLC1A2SLC1A1PKMPOLB
SCHEMBL27465321 0.82 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1PKMPOLB
SCHEMBL180118 0.82 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1PKMPOLB
SCHEMBL6282836 0.82 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1PKMPOLB
SCHEMBL1169120 0.82 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1PKMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4324903-A Malonic esters CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1982-04-13 US disclosed
US-4289894-A INTERMEDIATES IN MANUFACTURE OF PENICILLINS CHINOIN GYOGYSZER ES VEGYLSZETI TERMEKEK GYARA R.T. (HU) 1981-09-15 US disclosed
US-4232152-A POLYURETHANE CATALYSTS AIR PRODUCTS AND CHEMICALS, INC. (US) 1980-11-04 US disclosed
US-4223139-A CATALYSTS FOR POLYURETHANE SYNTHESIS AIR PRODUCTS AND CHEMICALS, INC. (US) 1980-09-16 US disclosed
US-4204062-A CATALYSTS FOR POLYURETHANE SYNTHESIS AIR PRODUCTS & CHEMICALS, INC. (US) 1980-05-20 US disclosed
US-4182892-A CHEMICAL INTERMEDIATES FOR ACYLATION OF PEPTIDES OR PENAM-RING OR CEPHAM-RING CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1980-01-08 US disclosed
US-4134994-A CATALYSTS FOR POLYURETHANE SYNTHESIS, EXHIBIT DELAYED ACTION AIR PRODUCTS AND CHEMICALS, INC. (US) 1979-01-16 US disclosed
US-4086213-A FOR POLYURETHANE SYNTHESIS AIR PRODUCTS AND CHEMICALS, INC. (US) 1978-04-25 US disclosed