SCHEMBL7122909

SCHEMBL7122909

CC(C)c1cccc(C(C)C[Al](CC(C)c2cccc(C(C)C)c2)CC(C)c2cccc(C(C)C)c2)c1.CC(C[Al](CC(C)c1ccc(Cl)cc1)CC(C)c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.39
C3AR1 Q16581 1/20 0.37
ADRB2 P07550 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MDM4 O15151 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
TYR P14679 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
CA5A P35218 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
SCHEMBL30502357 0.88 HDAC4 (0.41) ALDH1A1HPGDSMN1; SMN2HDAC4HDAC8
SCHEMBL336444 0.88 HDAC4 (0.41) ALDH1A1HPGDSMN1; SMN2HDAC4HDAC8
SCHEMBL335853 0.84 ADRB2 (0.48) C3AR1ADRB2PTGES2HPGDSMN1; SMN2
SCHEMBL6027378 0.80 IDO1 (0.40) ALDH1A1HPGDSMN1; SMN2TYRHTT
SCHEMBL7699622 0.77 KMT2A (0.42) C3AR1ADRB2ALDH1A1MAPTHTT
SCHEMBL6912043 0.76 ADRB2 (0.41) C3AR1ADRB2ALDH1A1SMN1; SMN2TP53
SCHEMBL19888756 0.75 PNMT (0.46) PGRC3AR1ADRB2ALDH1A1HPGD
SCHEMBL6911303 0.75 CCR5 (0.36) ALDH1A1HPGDSMN1; SMN2HDAC4HDAC8
SCHEMBL8211755 0.74 TYR (0.52) PGRALDH1A1HPGDSMN1; SMN2HDAC4
SCHEMBL18963401 0.73 ALDH1A1 (0.43) PGRC3AR1ADRB2ALDH1A1HPGD

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-20040092615-A1 Process for the preparation of porous polymers and polymers obtainable thereof BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2004-05-13 US disclosed