SCHEMBL8740164

SCHEMBL8740164

COc1cnn(C2CCCCO2)c(=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP4F2 P78329 4/20 0.41
▸ CYP4A11 Q02928 4/20 0.41
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ ATR Q13535 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ PDE1A P54750 5/20 0.36
▸ PDE1B Q01064 5/20 0.36
▸ PDE1C Q14123 5/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL15238669 0.84 MCHR1 (0.45) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL15889590 0.81 ALDH1A1 (0.48) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL3475925 0.80 ALDH1A1 (0.40) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL12362928 0.80 ALDH1A1 (0.45) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL1009505 0.78 ALDH1A1 (0.48) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL158414 0.78 CYP4F2 (0.52) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL5918317 0.78 ALDH1A1 (0.48) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL1366880 0.78 CYP4F2 (0.51) ALDH1A1CYP4F2CYP4A11RXRARXRB
SCHEMBL1009291 0.78 CYP4F2 (0.43) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL155870 0.77 CYP4F2 (0.44) ALDH1A1LMNAPOLBCYP4F2CYP4A11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5623072-A CONTROLLING WEED; CROP TOLERANCE MONSANTO COMPANY (US) 1997-04-22 — — US disclosed
US-5616789-A CHEMICAL INTERMEDIATE FOR 2-PHENYLPYRIDAZINE HERBICIDE MONSANTO COMPANY (US) 1997-04-01 — — US disclosed
US-5559080-A 3-phenoxypyridazines, herbicidal compositions and uses thereof MONSANTO COMPANY (US) 1996-09-24 — — US disclosed
US-5536701-A 3-pyrazolyloxypyridazines, herbicidal compositions and uses thereof MONSANTO COMPANY (US) 1996-07-16 — — US disclosed
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