SCHEMBL7435451

SCHEMBL7435451

Cc1cc(C)c(NC(=O)CN2CCC(NCC(O)C3COc4ccccc4O3)CC2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 2/20 0.44
DRD4 P21917 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LTA4H P09960 1/20 0.40

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
SCHEMBL7436669 0.93 ALDH1A1 (0.52) RAB9ANPC1LMNAPOLBALDH1A1
Hydrochloric Acid SCHEMBL7444391 0.92 ALDH1A1 (0.52) RAB9ANPC1LMNAPOLBALDH1A1
Acetic Acid SCHEMBL7435033 0.91 ALDH1A1 (0.50) RAB9ANPC1LMNAMEN1KMT2A
SCHEMBL7431672 0.89 LMNA (0.53) RAB9ANPC1LMNAMEN1KMT2A
SCHEMBL7447128 0.89 RAB9A (0.52) RAB9ANPC1LMNAMEN1KMT2A
SCHEMBL7439962 0.88 ALDH1A1 (0.47) RAB9ANPC1LMNAALDH1A1DRD4
SCHEMBL7434584 0.88 ALDH1A1 (0.47) RAB9ANPC1LMNAALDH1A1DRD4
SCHEMBL7433767 0.87 DRD4 (0.53) RAB9ANPC1ALDH1A1DRD4
SCHEMBL7437173 0.87 ALDH1A1 (0.49) RAB9ANPC1LMNAMEN1KMT2A
SCHEMBL10991013 0.87 ALOX15 (0.51) RAB9ANPC1LMNAMEN1KMT2A

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