SCHEMBL7936004

SCHEMBL7936004

O=C(O)C(O)n1cccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 3/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.32
HPGD P15428 3/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
PPARG P37231 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL498341 0.74 HSD17B10 (0.43) HSD17B10NPSR1TSHRPOLBSMN1; SMN2
SCHEMBL735831 0.72 HSD17B10 (0.42) HSD17B10NPSR1TP53GAA
SCHEMBL18258606 0.72 HSD17B10 (0.42) HSD17B10NPSR1TP53GAA
SCHEMBL28059371 0.70 HSD17B10 (0.41) HSD17B10NPSR1POLBSMN1; SMN2TDP1
SCHEMBL11397824 0.70 HSD17B10 (0.41) HSD17B10NPSR1POLBSMN1; SMN2TDP1
SCHEMBL27337837 0.69
SCHEMBL2793671 0.67 NPSR1 (0.57) HSD17B10NPSR1TSHRMAPK1POLB
SCHEMBL14247750 0.67 RAB9A (0.39) HSD17B10NPSR1POLBSMN1; SMN2TDP1
SCHEMBL18258607 0.67 RAB9A (0.39) HSD17B10NPSR1POLBSMN1; SMN2TDP1
SCHEMBL14248374 0.67 RAB9A (0.39) HSD17B10NPSR1POLBSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0884300-B1 PROCESS FOR PREPARING FREE ALPHA-HYDROXY ACIDS FROM AMMONIUM SALTS THEREOF NIPPON SODA CO (JP) 2001-11-21 EP disclosed
US-6066763-A HEATING TO EVOLVE AMMONIA AND WATER, WHICH ARE REMOVED TO LEAVE A LOW MOLECULAR WEIGHT POLY(ALPHA-HYDROXY ACID) RESIDUE; ADDING WATER, HEATING TO HYDROLYZE THE RESIDUE TO FREE ALPHA-HYDROXY ACID; NO BY-PRODUCT DISPOSAL PROBLEMS NIPPON SODA CO., LTD. (JP) 2000-05-23 US disclosed
EP-0884300-A1 PROCESS FOR PREPARING FREE ALPHA-HYDROXY ACIDS FROM AMMONIUM SALTS THEREOF NIPPON SODA CO., LTD. (JP) 1998-12-16 EP disclosed
US-4590295-A Process for the manufacture of p-hydroxyphenyl-acetic acid HOECHST AKTIENGESELLSCHAFT (DE) 1986-05-20 US disclosed