SCHEMBL21779776

SCHEMBL21779776

CCC(C)(CC)c1ccc(N)c(C(C)(CC)CC)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.40
ESR2 Q92731 3/20 0.40
AR P10275 2/20 0.40
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PGR P06401 1/20 0.30

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
SCHEMBL24385281 0.89 ESR1 (0.41) ESR1ESR2ARMAPTMEN1
SCHEMBL21883630 0.83 ESR1 (0.42) ESR1ESR2ARMAPTMEN1
SCHEMBL23586968 0.77 POLB (0.38) ESR1ESR2AR
SCHEMBL21870503 0.76 ESR1 (0.35) ESR1ESR2AR
SCHEMBL9353505 0.76 MAPT (0.46) ESR1ESR2ARMAPTMEN1
SCHEMBL26755530 0.76 ESR1 (0.35) ESR1ESR2AR
SCHEMBL22778788 0.74 TSHR (0.43) ESR1ESR2ARMAPTMEN1
SCHEMBL11081205 0.72 CYP3A4 (0.39) MAPTMEN1ALDH1A1GAAKMT2A
SCHEMBL23821044 0.72 ESR1 (0.35) ESR1ESR2AR
SCHEMBL23822793 0.72 ALDH1A1 (0.38) ESR1ESR2ARMAPTMEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3715355-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2022-12-14 EP disclosed
EP-4102590-A2 COMPOSITION, LAYER INCLUDING THE COMPOSITION, LIGHT-EMITTING DEVICE INCLUDING THE COMPOSITION, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2022-12-14 EP disclosed
EP-3971260-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2022-03-23 EP disclosed
EP-3838908-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2021-06-23 EP disclosed
EP-3715437-A1 COMPOSITION AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2020-09-30 EP disclosed
EP-3715354-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-09-30 EP disclosed
EP-3715436-A1 COMPOSITION AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2020-09-30 EP disclosed
EP-3674308-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2020-07-01 EP disclosed
EP-3637489-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2020-04-15 EP disclosed
EP-3617215-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-03-04 EP disclosed
EP-3617216-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-03-04 EP disclosed