SCHEMBL28059680

SCHEMBL28059680

CCC(C)c1cccc(O)c1-c1ccccc1CN

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
DPP4 P27487 4/20 0.38
ELANE P08246 2/20 0.37
CTSG P08311 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
ANPEP P15144 2/20 0.37
PNMT P11086 1/20 0.36
RORC P51449 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
POLB P06746 1/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL1833904 0.88 TSHR (0.59) TSHRGABRA1GABRB2DPP4ELANE
SCHEMBL1838577 0.86 TSHR (0.56) TSHRGABRA1GABRB2DPP4ELANE
SCHEMBL1839666 0.83 TSHR (0.53) TSHRGABRA1GABRB2ELANECTSG
SCHEMBL1836047 0.82 TSHR (0.51) TSHRELANECTSG
SCHEMBL1837818 0.81 TSHR (0.50) TSHRELANECTSGALOX15HSD17B10
SCHEMBL1837536 0.81 TSHR (0.50) TSHRELANECTSGALOX15HSD17B10
SCHEMBL1835065 0.81 TSHR (0.50) TSHRELANECTSGALOX15HSD17B10
SCHEMBL1835029 0.81 TSHR (0.50) TSHRELANECTSGALOX15HSD17B10
SCHEMBL1842270 0.81 TSHR (0.50) TSHRELANECTSGALOX15HSD17B10
SCHEMBL1838504 0.81 TSHR (0.61) TSHRGABRA1GABRB2DPP4ELANE

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
CN-102105439-B Method for producing N-substituted carbamate and method for producing isocyanate using the N-substituted carbamate ASAHI KASEI CHEMICALS CORP. (JP) 2016-04-20 CN disclosed