SCHEMBL8877333

SCHEMBL8877333

CCOC(=O)C1CC(C)CC(C)N1C(=O)Cc1ccc(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
P2RX7 Q99572 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
MDM2 Q00987 1/20 0.35
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL8877202 0.86 P2RX7 (0.43) SMN1; SMN2P2RX7ALDH1A1LMNAKMT2A
SCHEMBL8878394 0.85 SMN1; SMN2 (0.39) SMN1; SMN2P2RX7ALDH1A1LMNAKMT2A
SCHEMBL8877372 0.85 KMT2A (0.34) SMN1; SMN2P2RX7ALDH1A1LMNAKMT2A
SCHEMBL8877415 0.84 ALDH1A1 (0.41) SMN1; SMN2P2RX7ALDH1A1LMNAKMT2A
SCHEMBL8875741 0.83 ALDH1A1 (0.38) SMN1; SMN2P2RX7ALDH1A1LMNAKMT2A
SCHEMBL8876228 0.83 SMN1; SMN2 (0.39) SMN1; SMN2P2RX7ALDH1A1LMNAKMT2A
SCHEMBL8875758 0.83 TSHR (0.41) SMN1; SMN2P2RX7ALDH1A1LMNAKMT2A
SCHEMBL8314030 0.83 SMN1; SMN2 (0.36) SMN1; SMN2P2RX7ALDH1A1LMNAKMT2A
SCHEMBL8877501 0.81 MDM2 (0.39) SMN1; SMN2P2RX7ALDH1A1LMNAKMT2A
SCHEMBL8878145 0.81 KMT2A (0.41) SMN1; SMN2ALDH1A1KMT2AKDM4EAPOBEC3A

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