SCHEMBL11276207

SCHEMBL11276207

COc1ccc2c(c1)C(=O)C(C)(C)CC2c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
MAP2K3 P46734 1/20 0.39
LMNA P02545 1/20 0.39
METAP1 P53582 1/20 0.38
MDM2 Q00987 2/20 0.38
MDM4 O15151 1/20 0.38
CYP19A1 P11511 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL11284686 0.82 KDM4E (0.40) ALDH1A1KDM4ELMNAL3MBTL1MAOA
SCHEMBL11282551 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL11273594 0.82 PSEN1 (0.42) ALDH1A1KDM4EMAPTKMT2AMAOA
SCHEMBL11278569 0.82 LMNA (0.38) ALDH1A1CA1CA2CA9KDM4E
Hydrochloric Acid SCHEMBL11286436 0.81 KDM4E (0.39) ALDH1A1KDM4ELMNAL3MBTL1MAOA
SCHEMBL11275830 0.78 KDM4E (0.42) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL11284338 0.78 HIF1A (0.44) ALDH1A1LMNA
SCHEMBL11276686 0.78 LMNA (0.47) KDM4EMEN1MAPTKMT2ALMNA
SCHEMBL11275711 0.76 ATM (0.48) ALDH1A1KDM4EMAOAMAOB
Hydrochloric Acid SCHEMBL11284658 0.75 TAAR1 (0.50) ALDH1A1KDM4EMEN1KMT2ALMNA

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
US-4322370-A Polycyclic compounds BEECHAM GROUP LIMITED (GB) 1982-03-30 US disclosed