SCHEMBL9808641

SCHEMBL9808641

CC(C)(O)C(=O)c1ccc(CCC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.54
EPHX2 P34913 1/20 0.54
FFAR1 O14842 7/20 0.53
KEAP1 Q14145 1/20 0.52
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
SRD5A2 P31213 1/20 0.47
LMNA P02545 1/20 0.46
FFAR4 Q5NUL3 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL7632418 0.90 HSD17B10 (0.65) NR1H4EPHX2FFAR1RXRARXRB
SCHEMBL11884571 0.87 NR1H4 (0.55) NR1H4EPHX2FFAR1KEAP1RXRA
SCHEMBL3687860 0.87 PLK1 (0.41) NR1H4EPHX2HSD17B10L3MBTL1CA2
SCHEMBL31158021 0.81 NR1H4 (0.51) NR1H4EPHX2FFAR1RXRARXRB
SCHEMBL154857 0.81 CYP4A11 (0.50) CA1CA2
SCHEMBL1060928 0.81 PLK1 (0.55) L3MBTL1LMNA
SCHEMBL9808692 0.80 TAAR1 (0.45) L3MBTL1CA1CA2
SCHEMBL3976669 0.80 KMT2A (0.47) HSD17B10L3MBTL1
SCHEMBL153898 0.79 KMT2A (0.56) NR1H4EPHX2RXRARXRBRXRG
SCHEMBL195630 0.79 RARB (0.57) HSD17B10

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-5045573-A Alkanophenones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-09-03 US claimed
EP-0216884-B1 PHOTO-INITIATOR FOR THE PHOTO-POLYMERIZATION OF UNSATURATED SYSTEMS MERCK PATENT GmbH (DE) 1990-08-08 EP claimed
US-5045573-A Alkanophenones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-09-03 US disclosed
EP-0216884-B1 PHOTO-INITIATOR FOR THE PHOTO-POLYMERIZATION OF UNSATURATED SYSTEMS MERCK PATENT GmbH (DE) 1990-08-08 EP disclosed
US-4861916-A Photoinitiators for photopolymerization of unsaturated systems MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-08-29 US disclosed
EP-0216884-A1 PHOTO-INITIATOR FOR THE PHOTO-POLYMERIZATION OF UNSATURATED SYSTEMS. MERCK PATENT GMBH (DE) 1987-04-08 EP disclosed
WO-1986005778-A1 PHOTO-INITIATORS FOR PHOTO-POLYMERIZATION OF UNSATURATED SYSTEMS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-10-09 WO disclosed
WO-1986005777-A1 PHOTO-INITIATOR FOR THE PHOTO-POLYMERIZATION OF UNSATURATED SYSTEMS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-10-09 WO disclosed