SCHEMBL20404983

SCHEMBL20404983

Cc1ccc2ccccc2c1-c1ccc2c3ccccc3c3ccccc3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 4/20 0.48
▸ TSHR P16473 5/20 0.48
▸ CYP1A2 P05177 4/20 0.48
▸ CYP2A6 P11509 4/20 0.48
▸ ALDH1A1 P00352 6/20 0.45
▸ MAPT P10636 2/20 0.45
▸ LCK P06239 1/20 0.45
▸ FYN P06241 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ AHR P35869 1/20 0.45
▸ HSD17B10 Q99714 5/20 0.42
▸ HPGD P15428 3/20 0.42
▸ ALOX5 P09917 2/20 0.41
▸ HIF1A Q16665 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL20405192 0.93 HPRT1 (0.46) HPRT1TSHRCYP1A2CYP2A6ALDH1A1
SCHEMBL30379142 0.85 CYP1A2 (0.48) TSHRCYP1A2CYP2A6ALDH1A1MAPT
SCHEMBL23558884 0.80 ALDH1A1 (0.47) HPRT1TSHRCYP1A2CYP2A6ALDH1A1
SCHEMBL23989114 0.80 KMT2A (0.46) TSHRCYP1A2CYP2A6ALDH1A1MAPT
SCHEMBL23989117 0.80 ALDH1A1 (0.47) TSHRCYP1A2CYP2A6ALDH1A1MAPT
SCHEMBL23989040 0.80 GPR3 (0.42) TSHRCYP1A2CYP2A6ALDH1A1MAPT
SCHEMBL6310662 0.80 TSHR (0.56) HPRT1TSHRCYP1A2CYP2A6ALDH1A1
SCHEMBL13647071 0.80 CYP1A2 (0.43) TSHRCYP1A2CYP2A6ALDH1A1MAPT
SCHEMBL29352216 0.80 TSHR (0.65) HPRT1TSHRCYP1A2CYP2A6ALDH1A1
SCHEMBL2951616 0.80 TSHR (0.65) HPRT1TSHRCYP1A2CYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3351536-B1 ORGANIC LIGHT-EMITTING DEVICE LG CHEMICAL LTD (KR) 2021-07-21 — — EP disclosed
EP-3351536-A1 ORGANIC LIGHT-EMITTING DEVICE LG Chem, Ltd. (KR) 2018-07-25 — — EP disclosed
EP-3351537-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2018-07-25 — — EP disclosed
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