SCHEMBL28529151

SCHEMBL28529151

C1=CC(c2ccccc2)(c2ccccc2)CC(c2ccccc2)=C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC4 P56524 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NPY5R Q15761 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
SCHEMBL17335638 0.98 HDAC1 (0.35) HDAC1HDAC2HDAC4NPC1RAB9A
SCHEMBL15911335 0.90 HDAC1 (0.31) HDAC1HDAC2
SCHEMBL32664788 0.83 HSD11B1 (0.34) NPC1RAB9A
SCHEMBL31341404 0.80 CFTR (0.32) ALDH1A1
SCHEMBL28771557 0.79 NPC1 (0.35) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL28162783 0.78 NPC1 (0.37) HDAC1HDAC2HDAC4NPC1RAB9A
SCHEMBL11822773 0.78 HDAC1 (0.34) HDAC1HDAC2HDAC4NPC1RAB9A
SCHEMBL30645470 0.78 HDAC1 (0.34) HDAC1HDAC2HDAC4NPC1RAB9A
SCHEMBL27897540 0.78 HDAC1 (0.41) HDAC1HDAC2HDAC4NPC1RAB9A
SCHEMBL15058232 0.77 HDAC1 (0.33) HDAC1HDAC2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118159055-A Organic light-emitting layer, organic electroluminescent device, and electronic device 华为终端有限公司 2024-06-07 CN disclosed
CN-112201758-A Multiple host materials and organic electroluminescent device comprising the same 罗门哈斯电子材料韩国有限公司 2021-01-08 CN disclosed