SCHEMBL8905461

SCHEMBL8905461

Cc1cc(C)c(CC(=O)NC2(C(=O)O)CCCCC2C)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TAS1R3 Q7RTX0 4/20 0.35
TAS1R1 Q7RTX1 4/20 0.35
TAS1R2 Q8TE23 4/20 0.35
EPHX2 P34913 1/20 0.35
P2RX7 Q99572 1/20 0.33
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
USP2 O75604 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7960620 0.90 NPC1 (0.36) KMT2ALMNAHPGDKDM4EALDH1A1
SCHEMBL7949988 0.89 ALDH1A1 (0.36) EPHX2KMT2APOLBLMNAHPGD
SCHEMBL8906344 0.88 GAA (0.34) GAANPSR1TAS1R3TAS1R1TAS1R2
SCHEMBL8907297 0.85 POLB (0.41) P2RX7KMT2APOLBLMNAHPGD
SCHEMBL7964463 0.81 NPC1 (0.36) KMT2ALMNAHPGDKDM4EALDH1A1
SCHEMBL8907337 0.80 KMT2A (0.49) GAANPSR1TAS1R3TAS1R1TAS1R2
SCHEMBL8657819 0.79 P2RX7 (0.42) P2RX7KMT2ALMNAHPGD
SCHEMBL7960414 0.79 ALDH1A1 (0.36) EPHX2KMT2APOLBHPGDALDH1A1
SCHEMBL8650736 0.78 NPC1 (0.38) TAS1R3TAS1R1P2RX7KMT2APOLB
SCHEMBL7960270 0.77 ALDH1A1 (0.48) EPHX2KMT2APOLBHPGDALDH1A1

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-5677449-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5462913-A Pesticides, insecticides, miticides, herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed