SCHEMBL29587381

SCHEMBL29587381

CC(C)NC(C)(C)Cc1ccc(I)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
APEX1 P27695 1/20 0.46
PMP22 Q01453 1/20 0.46
LMNA P02545 1/20 0.38
CASR P41180 3/20 0.36
APP P05067 2/20 0.35
ADRB1 P08588 2/20 0.35
SIGMAR1 Q99720 2/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 1/20 0.33
CYP3A4 P08684 1/20 0.32
IDO1 P14902 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 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
SCHEMBL9913300 0.82 HPGD (0.40) CYP2D6CYP1A2LMNACASRADRB1
SCHEMBL10087170 0.81 CASR (0.44) CYP2D6LMNACASRADRB1IDO1
SCHEMBL10087162 0.80 LMNA (0.61) CYP2D6LMNACASRSIGMAR1CYP3A4
SCHEMBL13996918 0.78 CASR (0.57) CASR
SCHEMBL11955108 0.72 ESR1 (0.58) CYP2D6CYP1A2APEX1PMP22APP
SCHEMBL16589312 0.72 CASR (0.53) CASR
SCHEMBL255803 0.70 ACACB (0.52) CYP2D6LMNAESR1ESR2CYP3A4
SCHEMBL1998840 0.70 CYP3A4 (0.49) CYP2D6CYP1A2LMNAESR1CYP3A4
SCHEMBL16589305 0.69 CNR2 (0.40) LMNACASRADRB1MEN1TSHR
SCHEMBL16589316 0.69 CASR (0.42) CYP2D6CASRADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425579-A1 COMPOSITIONS AND METHODS THAT INHIBIT IL-23 SIGNALING Y-TRAP, INC. 2024-12-26 US disclosed
CN-118574847-A Compositions and methods for inhibiting IL-23 signaling Y-TRAP 公司 2024-08-30 CN disclosed
EP-4416177-A2 COMPOSITIONS AND METHODS THAT INHIBIT IL-23 SIGNALING Y-Trap, Inc. (US) 2024-08-21 EP disclosed
US-20230314623-A1 Next Generation GNSS-R Receiver THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-05 US disclosed
WO-2023064278-A2 COMPOSITIONS AND METHODS THAT INHIBIT IL-23 SIGNALING Y-TRAP, INC. (US) 2023-04-20 WO disclosed
CN-110940719-B IPTP sensor based on ion imprinting identification and preparation method and application thereof 南华大学 2022-04-22 CN disclosed