SCHEMBL7439756

SCHEMBL7439756

CC(C)Cc1ccc(NC(=O)CN2CCC(NCC(O)C3COc4ccccc4O3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.43
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LTA4H P09960 7/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL7447128 0.91 RAB9A (0.52) POLBLMNARAB9ASMN1; SMN2MAPT
SCHEMBL7443888 0.90 POLB (0.48) POLBLMNARAB9ASMN1; SMN2MAPT
SCHEMBL7439415 0.89 POLB (0.49) POLBLMNARAB9ASMN1; SMN2MAPT
SCHEMBL7440389 0.89 MEN1 (0.47) POLBLMNARAB9ASMN1; SMN2MAPT
SCHEMBL7435694 0.88 ALDH1A1 (0.47) POLBLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL7428136 0.88 POLB (0.48) POLBLMNARAB9ASMN1; SMN2MAPT
SCHEMBL7434360 0.88 POLB (0.59) POLBLMNARAB9ASMN1; SMN2MAPT
SCHEMBL7435917 0.88 POLB (0.48) POLBLMNARAB9AMAPTNPSR1
SCHEMBL7446327 0.87 SMN1; SMN2 (0.52) POLBRAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7434317 0.87 POLB (0.46) POLBLMNARAB9ASMN1; SMN2MAPT

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed