SCHEMBL4454498

SCHEMBL4454498

NC1(N)CC(c2ccc(C(=O)O)cc2)=CC=C1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
GRM1 Q13255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
CA1 P00915 5/20 0.38
CA2 P00918 4/20 0.38
CA12 O43570 4/20 0.38

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
SCHEMBL28492399 0.82 TSHR (0.40) TP53TSHRRXRARXRBALDH1A1
SCHEMBL437108 0.81 TSHR (0.39) TP53TSHRRXRARXRBALDH1A1
SCHEMBL9617659 0.81 RARB (0.42) TP53TSHRRXRARXRB
SCHEMBL30359384 0.77 RXRA (0.40) TP53TSHRRXRARXRBKDM4E
SCHEMBL28926572 0.72 BCL2L1 (0.40) ALDH1A1MAPTBCL2L1BADPOLB
SCHEMBL17342672 0.67 TSHR (0.46) TP53TSHRRXRARXRBALDH1A1
SCHEMBL19876977 0.65 TSHR (0.55) TP53TSHRRXRARXRBALDH1A1
SCHEMBL14018385 0.65 TSHR (0.80) TP53TSHRRXRARXRBALDH1A1
SCHEMBL2637326 0.65 TSHR (0.80) TP53TSHRRXRARXRBALDH1A1
Terephthalic Acid SCHEMBL9577834 0.65 TSHR (0.80) TP53TSHRRXRARXRBALDH1A1

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-7491427-B2 Polyimidesiloxane solution composition UBE INDUSTRIES, LTD. (JP) 2009-02-17 US disclosed
US-20070185286-A1 Polyimidesiloxane solution composition UBE INDUSTRIES, LTD. (JP) 2007-08-09 US disclosed