SCHEMBL11158693

SCHEMBL11158693

CC1(C)CC(C)(C)c2cc(Cl)c(O)cc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.56
TSHR P16473 3/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 1/20 0.42
RXRA P19793 5/20 0.36
RARB P10826 3/20 0.34
RARG P13631 2/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSP90AA1 P07900 3/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
AKR1B1 P15121 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL4460410 0.90 FTO (0.51) FTOTSHRHSD17B10HPGDRXRA
SCHEMBL8014576 0.90 FTO (0.51) FTOTSHRHSD17B10HPGDRXRA
SCHEMBL16812205 0.84 FTO (0.42) FTOTSHRRXRARARBRARG
SCHEMBL11157334 0.82 FTO (0.46) FTOTSHRHSD17B10HPGDRXRA
SCHEMBL4470199 0.80 FTO (0.43) FTOTSHRHSD17B10HPGDHTR2C
SCHEMBL11141905 0.80 FTO (0.43) FTOTSHRHSD17B10RXRACA1
SCHEMBL11165344 0.80 FTO (0.43) FTOTSHRRXRAALDH1A1TDP1
SCHEMBL6027262 0.77 FTO (0.44) FTOTSHRHSD17B10HPGDRXRA
SCHEMBL11137776 0.77 RXRA (0.39) FTOHSD17B10HPGDRXRARARB
SCHEMBL9327955 0.76 FTO (0.61) FTOTSHRHSD17B10HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4370505-A 1,1,3,3-Substituted hydroxyindanes BAYER AKTIENGESELLSCHAFT (DE) 1983-01-25 US disclosed
US-3954889-A Process for the production of 1,1,3,3-substituted hydroxyindanes BAYER AKTIENGESELLSCHAFT (DT) 1976-05-04 US disclosed