SCHEMBL9873493

SCHEMBL9873493

CCOC(=O)c1cc(F)c(C2(NC(=O)OCc3ccccc3)CC2C)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.40
ROCK2 O75116 1/20 0.39
TSHR P16473 2/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL9874569 0.86 RORC (0.41) RORCTSHRCTSLCTSBCTSS
SCHEMBL9875839 0.78 RORC (0.40) RORCTSHRCTSLCTSBCTSS
SCHEMBL9873963 0.75 TSHR (0.36) TSHRTDP1TP53HTTNPSR1
SCHEMBL9873858 0.74 RORC (0.42) RORCTSHRCTSLCTSBCTSS
SCHEMBL4505496 0.69 TDP1 (0.44) TSHRTDP1TP53HTTNPSR1
SCHEMBL9874790 0.69 TSHR (0.38) TSHRTDP1TP53HTTNPSR1
SCHEMBL18916793 0.69 JMJD6 (0.47) TSHRNPSR1POLBSMN1; SMN2RAB9A
SCHEMBL9872276 0.69 RORC (0.41) RORCCTSLCTSBCTSSTDP1
SCHEMBL3147192 0.69 CTSS (0.48) TSHRCTSLCTSBCTSSTDP1
SCHEMBL9874015 0.67 LMNA (0.40) TSHRTDP1TP53HTTNPSR1

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-4990508-A Reduced side effects TOYAMA CHEMICAL CO., LTD. (JP) 1991-02-05 US disclosed