SCHEMBL27953247

SCHEMBL27953247

COc1ccc(-c2c3cc(OC)ccc3c(-c3ccc(C(F)(F)F)cc3)c3cc4ccccc4cc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 3/20 0.48
▸ MAOB P27338 1/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ AHR P35869 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ENPP1 P22413 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ MEN1 O00255 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
SCHEMBL16414757 0.93 ACP1 (0.48) ACP1MAOBRAB9AKDM4ENPC1
SCHEMBL13500253 0.87 PIK3CA (0.46) ACP1MAOBRAB9AKDM4ENPC1
SCHEMBL27953243 0.85 CYP1A2 (0.48) RAB9AKDM4ENPC1HPGDSMN1; SMN2
SCHEMBL16421240 0.84 ACP1 (0.47) ACP1MAOBRAB9AKDM4ENPC1
SCHEMBL24605308 0.84 MAOB (0.42) ACP1MAOBRAB9AKDM4ENPC1
SCHEMBL14221983 0.82 PIK3CA (0.42) ACP1MAOBRAB9AKDM4ENPC1
SCHEMBL27942370 0.81 CA1 (0.47) ACP1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL27942366 0.81 ESR1 (0.57) ACP1CYP1A2CYP2A6ABCG2ESR1
SCHEMBL27942367 0.80 NPC1 (0.47) RAB9AKDM4ENPC1HPGDSMN1; SMN2
SCHEMBL28809652 0.78 MAPT (0.46) MAOBRAB9AKDM4ENPC1SMN1; SMN2

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
CN-103664499-B The synthetic method of tetracene and pentacene compounds SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-03-02 — — CN disclosed
CN-103664499-A Synthesis method of tetracene and pentacene compounds SHANGHAI INST ORGANIC CHEM 2014-03-26 — — CN disclosed
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