SCHEMBL9338697

SCHEMBL9338697

CC[C@H](C)C(=O)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.53
ELANE P08246 2/20 0.51
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
HTT P42858 1/20 0.46
PLA2G4B P0C869 3/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
SRD5A2 P31213 1/20 0.44
RARB P10826 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL10415112 1.00 MAPT (0.57) MAPTKMT2AELANEMAPK1HSD17B10
SCHEMBL17848853 0.87 MAPT (0.54) MAPTKMT2AELANEMAPK1HSD17B10
SCHEMBL17853801 0.86 KDM4E (0.55) MAPTKMT2AELANEMAPK1HSD17B10
SCHEMBL825544 0.85 ELANE (0.71) MAPTKMT2AELANEMAPK1HTT
SCHEMBL10423088 0.85 ELANE (0.50) MAPTKMT2AELANEMAPK1ALDH1A1
SCHEMBL10423087 0.85 ELANE (0.50) MAPTKMT2AELANEMAPK1ALDH1A1
SCHEMBL825605 0.84 ELANE (0.53) MAPTKMT2AELANEALDH1A1
SCHEMBL14996055 0.84 ELANE (0.50) MAPTKMT2AELANEMAPK1TP53
SCHEMBL10000787 0.84 ELANE (0.47) MAPTKMT2AELANEHSD17B10TSHR
SCHEMBL650639 0.84 ELANE (0.50) MAPTKMT2AELANEMAPK1TP53

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
EP-0262809-B1 Pyrimidinylphenyl ester compound TEIKOKU CHEM IND CO LTD (JP) 1994-05-11 EP disclosed
US-4980082-A DISPLAY ELEMENTS; HIGH SPEED RESPONSE TO ELECTRICAL FIELDS SEIKO INSTRUMENTS INC. (JP) 1990-12-25 US disclosed
EP-0262809-A1 Pyrimidinylphenyl ester compound TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 1988-04-06 EP disclosed