SCHEMBL29080583

SCHEMBL29080583

COC1(N(C)C)C=CC(C(=O)c2ccccc2)=CC1.O=C(O)CNc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
AGTR1 P30556 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.34
SENP1 Q9P0U3 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
AKR1C3 P42330 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
POLB P06746 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL5190192 0.88 RAB9A (0.41) RAB9AALDH1A1NPC1HPGDMEN1
SCHEMBL27706754 0.78 PPARG (0.38) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL29116175 0.75 LMNA (0.39) RAB9AALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL210845 0.71 ALDH1A1 (0.38) RAB9AALDH1A1NPC1HPGDMEN1
SCHEMBL27903354 0.70 ALDH1A1 (0.37) RAB9AALDH1A1NPC1HPGDMEN1
SCHEMBL3643054 0.70 ALDH1A1 (0.37) RAB9AALDH1A1NPC1HPGDMEN1
SCHEMBL157514 0.70 HPGD (0.41) RAB9AALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL27506088 0.69 ALDH1A1 (0.36) RAB9AALDH1A1NPC1HPGDMEN1
SCHEMBL3041974 0.69 ALDH1A1 (0.36) RAB9AALDH1A1NPC1HPGDMEN1
SCHEMBL8574305 0.69 ALDH1A1 (0.36) RAB9AALDH1A1NPC1HPGDMEN1

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-116560189-A Photocurable resin composition and application thereof 杭州福斯特电子材料有限公司 2023-08-08 CN disclosed