SCHEMBL27617111

SCHEMBL27617111

CC(C)(C)C(=O)CC(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HSD11B1 P28845 1/20 0.43
▸ GLA P06280 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TP53 P04637 2/20 0.40
▸ ATM Q13315 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LMNA P02545 2/20 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
SCHEMBL30966332 0.82 ALDH1A1 (0.68) ALDH1A1KMT2ANPSR1NPC1HTT
SCHEMBL4619345 0.79 ALDH1A1 (0.59) ALDH1A1KMT2ANPSR1NPC1HTT
SCHEMBL11541242 0.78 ALDH1A1 (0.63) ALDH1A1KMT2ANPSR1NPC1HTT
SCHEMBL14200369 0.77 ALDH1A1 (0.57) ALDH1A1KMT2ANPSR1NPC1HTT
SCHEMBL10602914 0.76 ALDH1A1 (0.55) ALDH1A1KMT2ANPSR1NPC1HTT
SCHEMBL11819020 0.76 KMT2A (0.55) ALDH1A1KMT2ANPSR1NPC1HTT
SCHEMBL830792 0.75 ALDH1A1 (0.59) ALDH1A1KMT2ANPSR1NPC1HTT
SCHEMBL9611270 0.74 KMT2A (0.62) ALDH1A1KMT2ANPSR1NPC1HTT
SCHEMBL2781437 0.74 ALDH1A1 (0.63) ALDH1A1KMT2ANPSR1NPC1HTT
SCHEMBL11431909 0.73 NPSR1 (0.57) ALDH1A1KMT2ANPSR1NPC1HTT

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
CN-1695089-A Silver halide color photographic light-sensitive material KONICAMINOLTA PHOTO IND (JP) 2005-11-09 — — CN disclosed
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