SCHEMBL27451582

SCHEMBL27451582

CC(C)(O)C(C)(C)OBc1cccc2oc3cc(-c4ccc(-c5ccccc5)cc4)ccc3c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PRKDC P78527 1/20 0.31

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
SCHEMBL27452466 0.92 MMP12 (0.34) MMP12MMP13MEN1KMT2AKDM4E
SCHEMBL27451387 0.91 PLA2G2A (0.36) ADRB2ALDH1A1PRKDC
SCHEMBL19802261 0.91 PLA2G2A (0.36) ADRB2ALDH1A1PRKDC
SCHEMBL27451580 0.87 PGR (0.36) ALDH1A1CYP3A4
SCHEMBL19802352 0.85 ADRB2 (0.41) MEN1NPC1KMT2AADRB2KDM4E
SCHEMBL27451547 0.84 PTGER1 (0.30) —
SCHEMBL29340518 0.84 NPC1 (0.35) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL25851438 0.83 AHR (0.42) ADRB2ESR1KDM5AESR2
SCHEMBL25791432 0.83 RARA (0.37) —
SCHEMBL27451578 0.83 HSP90AA1 (0.33) —

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
WO-2024144086-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2024-07-04 — — WO disclosed
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