SCHEMBL29315733

SCHEMBL29315733

C=CC(=O)OCCCCc1ccc(C)cc1-n1nc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.46
RAB9A P51151 9/20 0.46
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
KDM4E B2RXH2 4/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 5/20 0.43
HPGD P15428 5/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
THRB P10828 3/20 0.39
IGF2BP2 Q9Y6M1 1/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
THRA P10827 1/20 0.37

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
SCHEMBL29315735 0.99 NPC1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315734 0.99 NPC1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315731 0.97 NPC1 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315729 0.92 NPC1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315739 0.86 KDM4E (0.59) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315740 0.85 KDM4E (0.58) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315754 0.85 NPC1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315741 0.85 KDM4E (0.58) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315784 0.85 NPC1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315792 0.84 NPC1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E

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
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed