SCHEMBL7490230

SCHEMBL7490230

O=C(O)OC1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.42
▸ HSD11B1 P28845 6/20 0.41
▸ DRD2 P14416 11/20 0.41
▸ DRD4 P21917 11/20 0.41
▸ DRD3 P35462 11/20 0.41
▸ CCR2 P41597 1/20 0.41

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
SCHEMBL6036780 0.93 HDAC4 (0.47) HDAC4HSD11B1DRD2DRD4DRD3
SCHEMBL10604944 0.84 WDR91 (0.41) HDAC4HSD11B1CCR2
SCHEMBL7176061 0.83 DRD2 (0.52) HDAC4HSD11B1DRD2DRD4DRD3
SCHEMBL28755810 0.83 HDAC4 (0.41) HDAC4HSD11B1DRD2DRD4DRD3
SCHEMBL4699835 0.82 AKR1C1 (0.45) HDAC4HSD11B1DRD3
SCHEMBL4697560 0.81 CA1 (0.38) —
SCHEMBL6206134 0.78 OPRM1 (0.49) HSD11B1
SCHEMBL3812202 0.77 HSD11B1 (0.43) HDAC4HSD11B1DRD2DRD4DRD3
SCHEMBL6036843 0.74 AKR1C1 (0.52) HDAC4HSD11B1
SCHEMBL6202645 0.74 OPRM1 (0.38) HSD11B1DRD2DRD4DRD3CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095025-B1 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-11 — — EP disclosed
EP-0414059-B1 Dihalogenovinylbenzylesters, process and starting material for their preparation and their utilization for the control of parasites BASF AG (DE) 1993-10-27 — — EP disclosed
EP-0347693-B1 BENZONITRILES, BENZALDEHYDES AND BENZYL ALCOHOLS, AND PROCESSES FOR THEIR PRODUCTION BASF Aktiengesellschaft (DE) 1992-09-09 — — EP disclosed
EP-0347694-B1 PYRETHROIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN COMBATING PESTS BASF Aktiengesellschaft (DE) 1992-08-26 — — EP disclosed
EP-0414059-A1 Dihalogenovinylbenzylesters, process and starting material for their preparation and their utilization for the control of parasites BASF Aktiengesellschaft (DE) 1991-02-27 — — EP disclosed
EP-0347693-A1 Benzonitriles, benzaldehydes and benzyl alcohols, and processes for their production BASF Aktiengesellschaft (DE) 1989-12-27 — — EP disclosed
EP-0347694-A1 Pyrethroids, process for their preparation and their use in combating pests BASF Aktiengesellschaft (DE) 1989-12-27 — — EP disclosed
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