SCHEMBL20698516

SCHEMBL20698516

CC(C)c1cc(-c2ccc3c(c2)C(C)(C)c2cc4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccc7c(c6)C(C)(C)c6cc8ccccc8cc6-7)cc(-n6c7ccccc7c7ccccc76)c5)ccc4cc2-3)cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)c1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.32
▸ AKR1C2 P52895 2/20 0.32
▸ TUBB4A P04350 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TUBA3C P0DPH7 1/20 0.32
▸ TUBA1B P68363 1/20 0.32
▸ TUBA4A P68366 1/20 0.32
▸ TUBB4B P68371 1/20 0.32
▸ TUBB3 Q13509 1/20 0.32
▸ TUBB2A Q13885 1/20 0.32
▸ TUBB8 Q3ZCM7 1/20 0.32
▸ TUBA3E Q6PEY2 1/20 0.32
▸ TUBA1A Q71U36 1/20 0.32
▸ TUBA1C Q9BQE3 1/20 0.32
▸ TUBB6 Q9BUF5 1/20 0.32
▸ TUBB2B Q9BVA1 1/20 0.32
▸ TUBB1 Q9H4B7 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
SCHEMBL20698304 0.92 TUBB4A (0.31) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20698562 0.90 — —
SCHEMBL20698560 0.89 — —
SCHEMBL20698556 0.88 TUBB4A (0.32) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22617939 0.87 — —
SCHEMBL17692350 0.86 KDM4E (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22617923 0.84 — —
SCHEMBL20698565 0.84 — —
SCHEMBL20698302 0.84 TUBB4A (0.31) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22617947 0.82 TUBB4A (0.30) AKR1C3AKR1C2TUBB4ATUBBTUBA3C

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
US-20190036043-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-01-31 — — US disclosed
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