SCHEMBL29629324

SCHEMBL29629324

CC(C)Oc1ccc2cc(OC(C)C)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 1/20 0.52
PARP10 Q53GL7 1/20 0.50
BRD4 O60885 1/20 0.48
BRPF1 P55201 1/20 0.48
ALDH1A3 P47895 1/20 0.48
POLB P06746 1/20 0.47
ABL1 P00519 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
GLA P06280 1/20 0.45
MCL1 Q07820 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGS2 P35354 3/20 0.42
PTGS1 P23219 2/20 0.42
AKR1C3 P42330 2/20 0.42

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
SCHEMBL22325682 1.00 ALDH1A1 (0.54) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL15772872 0.95 ALDH1A1 (0.50) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL22632036 0.91 CYP1A2 (0.58) ALDH1A1KDM4ETDP1L3MBTL1PTGS2
SCHEMBL276584 0.91 CYP1A2 (0.58) ALDH1A1KMT2AKDM4ETDP1CYP1A2
SCHEMBL3138547 0.87 NCEH1 (0.56) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL15772972 0.87 CYP1A2 (0.59) KMT2AKDM4ETDP1L3MBTL1PTGS2
SCHEMBL19499322 0.87 TDP1 (0.47) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL14493587 0.85 ABL1 (0.49) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL15701612 0.85 TDP1 (0.46) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL21830389 0.83 ALDH1A1 (0.46) ALDH1A1KMT2APARP10BRD4BRPF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114656878-A Silicone resin composition, molded body, laminate, and method for producing molded body 日铁化学材料株式会社 2022-06-24 CN disclosed