SCHEMBL9250563

SCHEMBL9250563

CCC(C)c1ccccc1O.Cc1c(O)cccc1C(C)(C)CC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
RORC P51449 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TRPA1 O75762 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.33
SHBG P04278 1/20 0.32
PKM P14618 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
SCHEMBL4219474 0.84 TRPA1 (0.48) TSHRGABRA1GABRB2HDAC4HDAC2
SCHEMBL6942417 0.76 RORC (0.47) TSHRRORCHDAC4HDAC2HDAC8
SCHEMBL4401988 0.76 TSHR (0.70) TSHRRORCGABRA1GABRB2HDAC4
SCHEMBL20721726 0.75 TSHR (1.00) TSHRRORCGABRA1GABRB2HDAC4
SCHEMBL282162 0.75 TSHR (1.00) TSHRRORCGABRA1GABRB2HDAC4
SCHEMBL15485172 0.75 TSHR (1.00) TSHRRORCGABRA1GABRB2HDAC4
Benzene SCHEMBL1836843 0.74 TSHR (0.95) TSHRRORCGABRA1GABRB2HDAC4
Hydrochloric Acid SCHEMBL7075092 0.74 TSHR (0.95) TSHRRORCGABRA1GABRB2HDAC4
Ammonia Solution, Strong SCHEMBL27764945 0.74 TSHR (0.95) TSHRRORCGABRA1GABRB2HDAC4
SCHEMBL29178964 0.74 TSHR (0.95) TSHRRORCGABRA1GABRB2HDAC4

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
EP-0668316-A2 Poly (vinyl chloride) resin composition and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-08-23 EP disclosed