SCHEMBL11569315

SCHEMBL11569315

CC(=O)OC(CNc1ccccc1Cl)COC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ TAS1R3 Q7RTX0 2/20 0.41
▸ TAS1R1 Q7RTX1 2/20 0.41
▸ TSHR P16473 3/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ PDE4A P27815 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ LMNA P02545 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ SCN1A P35498 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ SCN3A Q9NY46 1/20 0.37

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
SCHEMBL11570124 0.85 KDM4E (0.46) TSHRNPSR1ALDH1A1LMNACYP1A2
SCHEMBL11575467 0.81 SMN1; SMN2 (0.41) TAS1R3TAS1R1NPC1RAB9AALDH1A1
SCHEMBL11571517 0.79 SMN1; SMN2 (0.39) TAS1R3TAS1R1TSHRNPC1RAB9A
SCHEMBL11568718 0.78 NPC1 (0.48) NPC1RAB9AMAPT
SCHEMBL11649769 0.69 KDM4E (0.47) TSHRNPSR1NPC1ALDH1A1MEN1
SCHEMBL11573064 0.68 ALDH1A1 (0.55) ADRB2ADRB1TSHRNPSR1ALDH1A1
SCHEMBL11574023 0.67 NPC1 (0.46) NPC1RAB9A
SCHEMBL11123663 0.65 NPC1 (0.58) TAS1R3TAS1R1NPC1RAB9AALDH1A1
SCHEMBL11570598 0.65 MAPT (0.51) ADRB2ADRB1TSHRNPC1RAB9A
SCHEMBL4799916 0.64 TAS1R3 (0.49) TAS1R3TAS1R1NPC1RAB9ACYP2C19

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
US-4152114-A POLYESTERS CIBA-GEIGY AG (CH) 1979-05-01 — — US disclosed
US-4099909-A POLYESTERS CIBA-GEIGY AG (CH) 1978-07-11 — — US disclosed
US-3963431-A POLYESTER CIBA-GEIGY AG (CH) 1976-06-15 — — US disclosed
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