SCHEMBL8877415

SCHEMBL8877415

CCOC(=O)C1CCCC(C)N1C(=O)Cc1ccc(C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
P2RX7 Q99572 1/20 0.40
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 3/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
MDM2 Q00987 1/20 0.37

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 0.93 P2RX7 (0.43) ALDH1A1HPGDGLAKDM4ESMN1; SMN2
SCHEMBL8877101 0.85 ALDH1A1 (0.42) ALDH1A1HPGDGLAKDM4ESMN1; SMN2
SCHEMBL8877333 0.84 SMN1; SMN2 (0.38) ALDH1A1HPGDKDM4ESMN1; SMN2P2RX7
SCHEMBL8878394 0.83 SMN1; SMN2 (0.39) ALDH1A1HPGDKDM4ESMN1; SMN2P2RX7
SCHEMBL8876049 0.83 TSHR (0.48) ALDH1A1HPGDGLASMN1; SMN2P2RX7
SCHEMBL8312553 0.83 ALDH1A1 (0.40) ALDH1A1HPGDGLAKDM4ESMN1; SMN2
SCHEMBL8875291 0.82 POLB (0.39) ALDH1A1HPGDKDM4ESMN1; SMN2P2RX7
SCHEMBL9727473 0.81 FKBP1A (0.47) ALDH1A1HPGDKDM4ESMN1; SMN2TSHR
SCHEMBL8877500 0.81 ALDH1A1 (0.47) ALDH1A1HPGDGLAKDM4ESMN1; SMN2
SCHEMBL8876228 0.79 SMN1; SMN2 (0.39) ALDH1A1HPGDKDM4ESMN1; SMN2P2RX7

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