SCHEMBL8813845

SCHEMBL8813845

Oc1ccc2[nH]ccc2c1O.[O-2].[O-2].[Ti+4]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.38
AHR P35869 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
RAD51 Q06609 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P4HB P07237 1/20 0.36
PARP1 P09874 2/20 0.36
PTPN22 Q9Y2R2 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.34
PARP15 Q460N3 1/20 0.34

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
SCHEMBL29415607 0.74 TYR (0.38) TYRAHRUSP2GAAALOX15
SCHEMBL8252615 0.74 TYR (0.38) TYRAHRUSP2GAAALOX15
SCHEMBL25252534 0.74 RHEB (0.47) TYRAHRUSP2GAAALOX15
SCHEMBL13904855 0.74 AHR (0.38) TYRAHRUSP2GAAALOX15
SCHEMBL4388854 0.74 AHR (0.47) TYRAHRUSP2GAAALOX15
SCHEMBL1400482 0.74 P2RX7 (0.38) TYRAHRUSP2GAAALOX15
SCHEMBL1401673 0.74 P4HB (0.42) TYRAHRUSP2GAAALOX15
SCHEMBL2398840 0.72 AHR (0.52) AHRUSP2GAAALOX15RAD51
Hydrochloric Acid SCHEMBL27467897 0.72 P2RX7 (0.38) TYRAHRUSP2GAAALOX15
SCHEMBL28017334 0.69 P2RX7 (0.41) AHRUSP2GAAALOX15RAD51

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-5695747-A APPLYING TO THE SKIN OR HAIR AND ULTRAVIOLET PROETECTION AGENT L'OREAL (FR) 1997-12-09 US disclosed