SCHEMBL7899385

SCHEMBL7899385

C/C(=C\OC(=O)c1ccc(C(=O)O/C=C(\C)Cc2ccc(C(C)(C)C)cc2)cc1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NR1H4 Q96RI1 9/20 0.46
EPHX2 P34913 8/20 0.46
NR4A2 P43354 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7899387 1.00 CA1 (0.48) CA1CA2MAPTLMNASMN1; SMN2
SCHEMBL7908674 0.92 EPHX2 (0.54) CA1CA2MAPTLMNASMN1; SMN2
SCHEMBL7908678 0.92 EPHX2 (0.54) CA1CA2MAPTLMNASMN1; SMN2
SCHEMBL5494077 0.86 SMN1; SMN2 (0.43) CA1CA2MAPTLMNASMN1; SMN2
SCHEMBL5186521 0.86 SMN1; SMN2 (0.43) CA1CA2MAPTLMNASMN1; SMN2
SCHEMBL5186509 0.86 SMN1; SMN2 (0.43) CA1CA2MAPTLMNASMN1; SMN2
SCHEMBL7905596 0.84 SMN1; SMN2 (0.45) MAPTLMNASMN1; SMN2NR1H4EPHX2
SCHEMBL7905599 0.84 SMN1; SMN2 (0.45) MAPTLMNASMN1; SMN2NR1H4EPHX2
SCHEMBL6567600 0.80 ALDH1A1 (0.47) MAPTLMNASMN1; SMN2NR1H4EPHX2
SCHEMBL6567605 0.80 ALDH1A1 (0.47) MAPTLMNASMN1; SMN2NR1H4EPHX2

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
US-6207857-B1 FOR ORGANOLEPTIC AND ANTIMICROBIAL COMPOUNDS GENERATED IN THE PRESENCE OF SKIN BACTERIA, ENZYMES OR ACIDIC OR ALKALINE CONDITIONS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2001-03-27 US claimed
US-6207857-B1 FOR ORGANOLEPTIC AND ANTIMICROBIAL COMPOUNDS GENERATED IN THE PRESENCE OF SKIN BACTERIA, ENZYMES OR ACIDIC OR ALKALINE CONDITIONS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2001-03-27 US disclosed
EP-0887336-A1 Precursor Compounds GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1998-12-30 EP disclosed