SCHEMBL9870748

SCHEMBL9870748

CC(C)(C)c1cc(-n2nc3ccccc3n2)c(OC(=O)CCCCC(=O)Oc2c(-n3nc4ccccc4n3)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 7/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
PIN1 Q13526 1/20 0.34
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
ACKR3 P25106 1/20 0.32

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
SCHEMBL10593219 0.95 VCAM1 (0.39) VCAM1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9872313 0.86 NPC1 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL9879793 0.84 VCAM1 (0.36) VCAM1SMN1; SMN2HPGD
SCHEMBL9870052 0.83 ALDH1A1 (0.35) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
Naphthalene SCHEMBL9872543 0.83 RAB9A (0.47) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL9871470 0.82 RXRA (0.36) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL5417312 0.82 NPC1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL9872532 0.81 L3MBTL1 (0.43) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL28022693 0.81 NPC1 (0.38) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3537498 0.79 HTT (0.40) 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-5030731-A Substituted benzotriazoles; storage stability; lacquers CIBA-GEIGY CORPORATION (US) 1991-07-09 US disclosed
US-4775707-A BLOCKED BENZOTRIAZOLES CIBA-GEIGY CORPORATION (US) 1988-10-04 US disclosed