SCHEMBL29039883

SCHEMBL29039883

O=CC(=O)c1cc(Oc2ccccc2)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.48
POLB P06746 2/20 0.44
AKR1C3 P42330 1/20 0.44
STK39 Q9UEW8 3/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
PARP10 Q53GL7 1/20 0.41
SRD5A2 P31213 2/20 0.41
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
SERPINE1 P05121 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GCK P35557 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 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
SCHEMBL2563868 0.83 POLB (0.57) KMOPOLBAKR1C3STK39HDAC1
SCHEMBL28094815 0.81 PARP10 (0.56) KMOPOLBAKR1C3STK39HDAC1
SCHEMBL30513967 0.79 TYK2 (0.51) POLBNPC1ALDH1A1RAB9A
SCHEMBL21668146 0.79 TYK2 (0.51) POLBNPC1ALDH1A1RAB9A
SCHEMBL2771192 0.76 MAPT (0.44) KMOSTK39HDAC1NPC1ALDH1A1
SCHEMBL10455040 0.76 ALDH1A1 (0.61) KMOPOLBADRB1ADRB3NPC1
SCHEMBL9807211 0.74 ALDH1A1 (0.65) POLBAKR1C3PARP10SRD5A2NPC1
SCHEMBL28039268 0.74 PARP10 (0.56) KMOPOLBAKR1C3STK39PARP10
SCHEMBL596448 0.74 SERPINE1 (0.58) POLBSTK39SRD5A2SERPINE1ALDH1A1
SCHEMBL197240 0.74 SERPINE1 (0.58) POLBSTK39SRD5A2SERPINE1ALDH1A1

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-116496151-A Method for preparing fluorenone derivative by using Catellani strategy 长沙医学院 2023-07-28 CN disclosed