SCHEMBL11288958

SCHEMBL11288958

CCc1ccc(CC(=O)Oc2ccc(C(=O)C(N)C(C)(C)C)cc2OC(=O)Cc2ccc(CC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.35
PKM P14618 1/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
PPARG P37231 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
Hydrochloric Acid SCHEMBL11286237 0.89 LMNA (0.47) ALOX15KMT2AL3MBTL1LMNAMAPT
SCHEMBL11287551 0.89 HPGD (0.42) KMT2AL3MBTL1ALDH1A1MAPTGAA
Hydrochloric Acid SCHEMBL11287384 0.87 L3MBTL1 (0.52) KMT2AL3MBTL1LMNAALDH1A1MAPT
SCHEMBL11288426 0.83 PKM (0.38) ALOX15KMT2ALMNAALDH1A1MAPT
Hydrochloric Acid SCHEMBL11278973 0.80 ALDH1A1 (0.38) ALOX15LMNAALDH1A1MAPTGAA
SCHEMBL11281880 0.80 KMT2A (0.44) KMT2AALDH1A1MAPTKDM4ERAB9A
SCHEMBL11284533 0.80 PARP10 (0.43) KMT2ALMNAALDH1A1MAPTGAA
SCHEMBL11287886 0.79 MAPT (0.39) ALOX15KMT2AL3MBTL1LMNAALDH1A1
Hydrochloric Acid SCHEMBL11276274 0.79 ALOX15 (0.53) ALOX15LMNAALDH1A1MAPTGAA
Hydrochloric Acid SCHEMBL11281624 0.79 KMT2A (0.43) KMT2AALDH1A1MAPTKDM4ERAB9A

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-4336400-A BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS STERLING DRUG INC. (US) 1982-06-22 US disclosed
US-RE30241-E BRONCHODILATION, ADRENERGIC STIMULANTS STERLING DRUG INC. (US) 1980-03-25 US disclosed
US-4138581-A BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS STERLING DRUGS INC. (US) 1979-02-06 US disclosed