SCHEMBL8875741

SCHEMBL8875741

CCOC(=O)C1CC(C)CN1C(=O)Cc1ccc(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 3/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
P2RX7 Q99572 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MDM2 Q00987 1/20 0.35
HPGD P15428 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNB1 Q02641 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8879447 0.91 POLB (0.41) ALDH1A1KMT2ALMNAPOLBP2RX7
SCHEMBL8877150 0.90 POLB (0.39) ALDH1A1KMT2ALMNAPOLBP2RX7
SCHEMBL8877501 0.89 MDM2 (0.39) ALDH1A1KMT2ALMNAPOLBP2RX7
SCHEMBL8877111 0.88 ALDH1A1 (0.37) ALDH1A1KMT2ALMNAPOLBP2RX7
SCHEMBL8876027 0.85 POLB (0.36) ALDH1A1KMT2ALMNAPOLBCTSS
SCHEMBL8877333 0.83 SMN1; SMN2 (0.38) ALDH1A1KMT2ALMNAPOLBP2RX7
SCHEMBL8877593 0.82 TSHR (0.42) ALDH1A1KMT2ALMNAPOLBP2RX7
SCHEMBL8317180 0.82 CYP3A4 (0.35) ALDH1A1KMT2ALMNAPOLBP2RX7
SCHEMBL8876386 0.80 CTSS (0.40) ALDH1A1KMT2ALMNACTSSCTSK
SCHEMBL9727473 0.80 FKBP1A (0.47) ALDH1A1KMT2APOLBSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693663-A PESTICIDES; HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-02 US disclosed
US-5585384-A 1-OXY-FUNCTIONAL GROUP-2-ALKYLARYL-3-OXO-PYRROLIZINES; INSECTICIDES; NEMATOCIDES; HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-17 US disclosed
US-5288874-A Insecticides, miticides BAYER AKTIENGESELLSCHAFT (DE) 1994-02-22 US disclosed