SCHEMBL20698304

SCHEMBL20698304

CC(C)c1cc(-c2ccc3c(c2)C(C)(C)c2cc4c(cc2-3)C(C)(C)c2ccc(-c3ccc5c(c3)c3ccccc3n5-c3cc(-c5ccc6c(c5)C(C)(C)c5cc7c(cc5-6)C(C)(C)c5ccccc5-7)cc(-n5c6ccccc6c6ccccc65)c3)cc2-4)cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)c1

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 1/20 0.31
▸ TUBB P07437 1/20 0.31
▸ TUBA3C P0DPH7 1/20 0.31
▸ TUBA1B P68363 1/20 0.31
▸ TUBA4A P68366 1/20 0.31
▸ TUBB4B P68371 1/20 0.31
▸ TUBB3 Q13509 1/20 0.31
▸ TUBB2A Q13885 1/20 0.31
▸ TUBB8 Q3ZCM7 1/20 0.31
▸ TUBA3E Q6PEY2 1/20 0.31
▸ TUBA1A Q71U36 1/20 0.31
▸ TUBA1C Q9BQE3 1/20 0.31
▸ TUBB6 Q9BUF5 1/20 0.31
▸ TUBB2B Q9BVA1 1/20 0.31
▸ TUBB1 Q9H4B7 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
SCHEMBL20698516 0.92 AKR1C3 (0.32) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20698556 0.91 TUBB4A (0.32) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20698565 0.86 — —
SCHEMBL22617980 0.86 — —
SCHEMBL20698530 0.86 TUBB4A (0.32) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22617978 0.84 TUBB4A (0.30) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22617947 0.83 TUBB4A (0.30) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20698560 0.83 — —
SCHEMBL18518849 0.83 KDM4E (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17692379 0.83 KDM4E (0.36) —

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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