SCHEMBL28479335

SCHEMBL28479335

COc1cccc2c(OCC(C)C)ccc(OC)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR2E1 Q9Y466 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ GAA P10253 1/20 0.41
▸ DHODH Q02127 1/20 0.41
▸ CYP1A2 P05177 5/20 0.40
▸ LMNA P02545 3/20 0.40
▸ AGTR1 P30556 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ RIN1 Q13671 1/20 0.40
▸ CYP2D6 P10635 4/20 0.39
▸ ADRB2 P07550 4/20 0.39
▸ ADRB1 P08588 4/20 0.39
▸ SIGMAR1 Q99720 4/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ HTR2B P41595 3/20 0.39
▸ ADRB3 P13945 3/20 0.39
▸ HTR2A P28223 3/20 0.39
▸ HTR2C P28335 3/20 0.39
▸ HTR6 P50406 3/20 0.39

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
SCHEMBL6123816 0.84 IDO1 (0.50) NR2E1ALDH1A1GAADHODHCYP1A2
SCHEMBL31599179 0.79 ALDH1A1 (0.50) NR2E1ALDH1A1GAADHODHCYP1A2
SCHEMBL17912799 0.79 ALDH1A1 (0.50) NR2E1ALDH1A1GAADHODHCYP1A2
SCHEMBL1193308 0.79 KMT2A (0.52) ALDH1A1GAALMNAABL1RAD52
SCHEMBL1446334 0.77 LMNA (0.61) ALDH1A1GAACYP1A2LMNAAGTR1
SCHEMBL13744828 0.77 TDP1 (0.44) ALDH1A1GAACYP1A2LMNAAGTR1
SCHEMBL22114346 0.77 SMN1; SMN2 (0.52) ALDH1A1GAACYP1A2LMNAAGTR1
SCHEMBL29829725 0.77 NR2E1 (0.64) NR2E1ALDH1A1CYP1A2LMNAAGTR1
SCHEMBL5031818 0.77 NR2E1 (0.64) NR2E1ALDH1A1CYP1A2LMNAAGTR1
SCHEMBL18489559 0.76 ELANE (0.45) GAAABL1RAD52RIN1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107868148-B Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2020-11-10 — — CN claimed
CN-107868155-B Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2020-09-15 — — CN claimed
CN-107868148-B Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2020-11-10 — — CN disclosed
CN-107868155-B Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2020-09-15 — — CN disclosed
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