SCHEMBL29649596

SCHEMBL29649596

Cc1ccc(C(NCCCCCC(=O)Nc2ccc(CO)cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
HDAC3 O15379 12/20 0.50
HDAC1 Q13547 12/20 0.50
HDAC2 Q92769 11/20 0.50
HDAC10 Q969S8 11/20 0.50
HDAC11 Q96DB2 11/20 0.50
HDAC8 Q9BY41 11/20 0.50
HDAC6 Q9UBN7 11/20 0.50
NCOR2 Q9Y618 2/20 0.50
HDAC4 P56524 10/20 0.48
HDAC7 Q8WUI4 10/20 0.48
HDAC9 Q9UKV0 10/20 0.48
HDAC5 Q9UQL6 10/20 0.48
CYP3A4 P08684 2/20 0.45
KCNH2 Q12809 2/20 0.45
CYP2C9 P11712 1/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL30448515 0.89 L3MBTL1 (0.55) ALDH1A1LMNAHDAC3HDAC1HDAC2
SCHEMBL31681497 0.81 SPHK1 (0.45) ALDH1A1CYP3A4CYP2C9LTA4H
SCHEMBL29649451 0.81 SPHK1 (0.45) ALDH1A1CYP3A4CYP2C9LTA4H
SCHEMBL29649606 0.81 ALDH1A1 (0.45) ALDH1A1LMNAHDAC3HDAC1HDAC2
SCHEMBL25364561 0.81 SIRT1 (0.41) ALDH1A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL25364554 0.81 SIRT1 (0.41) ALDH1A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL29601869 0.79 KIF11 (0.45) ALDH1A1LMNAHDAC3HDAC1HDAC2
SCHEMBL15822487 0.76 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL26242790 0.76 KIF11 (0.46) ALDH1A1HDAC3HDAC6KMT2AKDM4E
SCHEMBL25359570 0.76 SSTR3 (0.41) CYP3A4CYP2C9KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4237008-A2 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF Elucida Oncology, Inc. (US) 2023-09-06 EP disclosed
WO-2022093800-A2 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF ELUCIDA ONCOLOGY, INC. (US) 2022-05-05 WO disclosed