SCHEMBL9769811

SCHEMBL9769811

CCC(C)(C)c1cccc(-c2cccc(O)c2C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PTPN5 P54829 2/20 0.41
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL9769804 0.86 RXRA (0.55) CA12CA1CA2CA7CA9
SCHEMBL9769821 0.83 CNR2 (0.55) CA12CA1CA2CA7CA9
SCHEMBL10591309 0.77 ACMSD (0.59) RXRARXRBMCL1
SCHEMBL3264678 0.74 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL4368940 0.73 FOLH1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL777995 0.72 NPC1 (0.47) NPC1RAB9ALMNAMAPK1CASP3
Phenol SCHEMBL11800897 0.72 HSD17B1 (0.44) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL10046425 0.72 CA12 (0.80) CA12CA1CA2CA7CA9
SCHEMBL8889619 0.71 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL120251 0.71 NPC1 (0.64) CA12CA1CA2CA9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4999333-A For facsimile and thermal printing FUJI PHOTO FILM CO., LTD. (JP) 1991-03-12 US disclosed