SCHEMBL31165231

SCHEMBL31165231

C=Cc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)C2(c4cc(N(c5ccc(C=C)cc5)c5ccc(OC)cc5)ccc4-3)c3cc(N(c4ccc(C=C)cc4)c4ccc(OC)cc4)ccc3-c3ccc(N(c4ccc(C=C)cc4)c4ccc(OC)cc4)cc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.36
▸ MAOA P21397 1/20 0.36
▸ CYP1A1 P04798 3/20 0.35
▸ CYP1B1 Q16678 3/20 0.35
▸ ESR1 P03372 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ TUBB4A P04350 2/20 0.35
▸ TUBB P07437 2/20 0.35
▸ TUBA3C P0DPH7 2/20 0.35
▸ AHR P35869 2/20 0.35
▸ TUBA1B P68363 2/20 0.35
▸ TUBA4A P68366 2/20 0.35
▸ TUBB4B P68371 2/20 0.35
▸ TUBB3 Q13509 2/20 0.35
▸ TUBB2A Q13885 2/20 0.35
▸ TUBB8 Q3ZCM7 2/20 0.35
▸ TUBA3E Q6PEY2 2/20 0.35
▸ TUBA1A Q71U36 2/20 0.35
▸ TUBA1C Q9BQE3 2/20 0.35

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
SCHEMBL29350801 0.88 CA1 (0.39) MAOBMAOACYP1A2ALDH1A1CYP3A4
SCHEMBL29349668 0.88 CA1 (0.39) MAOBMAOACYP1A2ALDH1A1CYP3A4
SCHEMBL233470 0.88 CA1 (0.39) MAOBMAOACYP1A2ALDH1A1CYP3A4
SCHEMBL31165209 0.86 TSHR (0.32) MAOBMAOAALDH1A1CYP3A4ALOX12
SCHEMBL31165284 0.86 ALDH1A1 (0.53) MAOBMAOACYP1A1CYP1B1ESR1
SCHEMBL19733893 0.86 ALDH1A1 (0.53) MAOBMAOACYP1A1CYP1B1ESR1
SCHEMBL11987113 0.83 ALDH1A1 (0.47) MAOBCYP1A1CYP1B1ESR1CYP1A2
SCHEMBL5289507 0.83 ALDH1A1 (0.47) MAOBCYP1A1CYP1B1ESR1CYP1A2
SCHEMBL31165278 0.83 APLNR (0.39) MAOBMAOAALDH1A1CYP3A4ALOX12
SCHEMBL24606931 0.82 PDK2 (0.36) MAOBMAOAALDH1A1KDM4ECYP3A4

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
EP-4447643-A1 IN-SITU CROSSLINKING OF 9,9`-SPIROBIFLUORENE-BASED COMPOUNDS FOR USE IN OPTOELECTRONIC AND/OR PHOTOELECTROCHEMICAL DEVICES AND MANUFACTURE THEREOF Kaunas University of Technology (LT) 2024-10-16 — — EP claimed
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